CID 14779126

698-30-6

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

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

InChI

InChI=1S/C6H8N2O2/c1-4-7-2-5(3-9)6(10)8-4/h2,9H,3H2,1H3,(H,7,8,10)

InChIKey

ATTZFOQANXUZIP-UHFFFAOYSA-N

Compound name

5-(hydroxymethyl)-2-methyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 0
Patents: 140.05858 Da
Monoisotopic Mass: -1.1
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]+	141.06586	126.4
[M+Na]+	163.04780	139.3
[M+NH4]+	158.09240	133.3
[M+K]+	179.02174	134.3
[M-H]-	139.05130	126.0
[M+Na-2H]-	161.03325	132.3
[M]+	140.05803	127.9
[M]-	140.05913	127.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.