CID 222672

40497-30-1

Structural Information

Molecular Formula

C₅H₆N₂O₂

SMILES

CC1=NC(=CC(=O)N1)O

InChI

InChI=1S/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H,1H3,(H2,6,7,8,9)

InChIKey

BPSGVKFIQZZFNH-UHFFFAOYSA-N

Compound name

4-hydroxy-2-methyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1278
Patents: 126.04293 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]+	127.05021	121.3
[M+Na]+	149.03215	131.8
[M-H]-	125.03565	120.5
[M+NH4]+	144.07675	140.0
[M+K]+	165.00609	129.2
[M+H-H2O]+	109.04019	115.4
[M+HCOO]-	171.04113	142.2
[M+CH3COO]-	185.05678	164.9
[M+Na-2H]-	147.01760	129.3
[M]+	126.04238	120.0
[M]-	126.04348	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe