Metabolite beta-Hydroxyethylhydrazine

Name

beta-Hydroxyethylhydrazine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 182.2594
Monoisotopic: 182.13067982

Chemical Formula

C₁₁H₁₈O₂

InChI Key

ZYNYTTXGMNCKDP-KPDBFRNYSA-N

InChI

InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,7-8H,5-6,9-10H2,1-2H3/b4-3-,8-7-

IUPAC Name

methyl (4Z,8Z)-deca-4,8-dienoate

SMILES

COC(=O)CC\C=C/CC\C=C/C

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0a6r-9500000000-3ed3a22c400c11076875
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00lr-9100000000-82858283401b47da657c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-1900000000-db2c9e6ba60e5a6ef27d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-9000000000-2ac3257599a2d6bf5353
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001j-2900000000-7836dc0d8ceee8925a4a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00lr-9000000000-0da5bbe10c34376a08ec
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014l-9100000000-f7e8240267f9a83c054a

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	159.9765042	predicted	DarkChem Lite v0.1.0
[M-H]-	159.7538042	predicted	DarkChem Lite v0.1.0
[M-H]-	147.78294	predicted	DeepCCS 1.0 (2019)
[M+H]+	161.3537042	predicted	DarkChem Lite v0.1.0
[M+H]+	160.7734042	predicted	DarkChem Lite v0.1.0
[M+H]+	150.14095	predicted	DeepCCS 1.0 (2019)
[M+Na]+	160.2957042	predicted	DarkChem Lite v0.1.0
[M+Na]+	160.2051042	predicted	DarkChem Lite v0.1.0
[M+Na]+	157.54526	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties