Metabolite 6-(hydroxymethyl)uracil

Name

6-(hydroxymethyl)uracil

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

PNS2EUP1Y2

CAS number

Not Available

Weight

Average: 142.114
Monoisotopic: 142.037842061

Chemical Formula

C₅H₆N₂O₃

InChI Key

JVZRLPFSWSIONO-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2O3/c8-2-3-1-4(9)7-5(10)6-3/h1,8H,2H2,(H2,6,7,9,10)

IUPAC Name

6-(hydroxymethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

SMILES

OCC1=CC(=O)NC(=O)N1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0900000000-976f4397093788eaf48b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-5900000000-49fb00acc07cb86b76bc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f8c-9700000000-46be9b4a374a4780268f
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-0cd544b793c636ed1aee
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014u-9000000000-73c493fc9d74af2805f2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9000000000-8df9013f8ac75661f24c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	128.8793038	predicted	DarkChem Lite v0.1.0
[M-H]-	124.65164	predicted	DeepCCS 1.0 (2019)
[M+H]+	130.1580038	predicted	DarkChem Lite v0.1.0
[M+H]+	127.77033	predicted	DeepCCS 1.0 (2019)
[M+Na]+	129.6807038	predicted	DarkChem Lite v0.1.0
[M+Na]+	136.5111	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties