Metabolite Methyl-selenol

Name

Methyl-selenol

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 95.0
Monoisotopic: 95.947821956

Chemical Formula

CH₄Se

InChI Key

APKHDKJWSHYLEU-UHFFFAOYSA-N

InChI

InChI=1S/CH4Se/c1-2/h2H,1H3

IUPAC Name

methaneselenol

SMILES

C[SeH]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0005-9000000000-0ad8c1eee45c56fe8f2b
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-9000000000-186d833c2a1d3a4b8f2b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-f9689d19a8a4fb34dc2c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-9000000000-186d833c2a1d3a4b8f2b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-f9689d19a8a4fb34dc2c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-9000000000-186d833c2a1d3a4b8f2b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-f9689d19a8a4fb34dc2c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	81.0332703	predicted	DarkChem Lite v0.1.0
[M-H]-	117.87385	predicted	DeepCCS 1.0 (2019)
[M+H]+	119.719826	predicted	DeepCCS 1.0 (2019)
[M+Na]+	127.05567	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties