CID 8983

147-61-5

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

CC1=C(C(=O)NC(=O)N1)CO

InChI

InChI=1S/C6H8N2O3/c1-3-4(2-9)5(10)8-6(11)7-3/h9H,2H2,1H3,(H2,7,8,10,11)

InChIKey

XBAVGYMDOXCWQU-UHFFFAOYSA-N

Compound name

5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 183
References: 57
Patents: 156.0535 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.06078	129.8
[M+Na]+	179.04272	141.9
[M+NH4]+	174.08732	135.4
[M+K]+	195.01666	137.9
[M-H]-	155.04622	128.0
[M+Na-2H]-	177.02817	134.0
[M]+	156.05295	130.6
[M]-	156.05405	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe