CID 81111

2-amino-4,6-dihydroxy-5-methylpyrimidine

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

CC1=C(N=C(NC1=O)N)O

InChI

InChI=1S/C5H7N3O2/c1-2-3(9)7-5(6)8-4(2)10/h1H3,(H4,6,7,8,9,10)

InChIKey

OTFOORSARCXWKK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 24
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	125.7
[M+Na]+	164.04305	137.5
[M+NH4]+	159.08765	132.1
[M+K]+	180.01699	133.7
[M-H]-	140.04655	125.4
[M+Na-2H]-	162.02850	130.8
[M]+	141.05328	126.9
[M]-	141.05438	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe