CID 135440988

14405-13-1

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

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

InChI

InChI=1S/C5H7N3O2/c1-2-3(9)4(10)8-5(6)7-2/h9H,1H3,(H3,6,7,8,10)

InChIKey

TUJOARNJMDDAHA-UHFFFAOYSA-N

Compound name

2-amino-5-hydroxy-4-methyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 141.05383 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]+	142.06111	126.4
[M+Na]+	164.04305	136.9
[M-H]-	140.04655	125.5
[M+NH4]+	159.08765	144.1
[M+K]+	180.01699	133.8
[M+H-H2O]+	124.05109	120.3
[M+HCOO]-	186.05203	147.6
[M+CH3COO]-	200.06768	170.6
[M+Na-2H]-	162.02850	132.7
[M]+	141.05328	123.7
[M]-	141.05438	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe