CID 15422742

31458-47-6

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

COC1=C(NC(=O)N=C1)N

InChI

InChI=1S/C5H7N3O2/c1-10-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)

InChIKey

NGOCBWZVBNMKES-UHFFFAOYSA-N

Compound name

6-amino-5-methoxy-1H-pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 274
Patents: 141.05383 Da
Monoisotopic Mass: -1.0
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	125.3
[M+Na]+	164.04305	135.3
[M-H]-	140.04655	125.3
[M+NH4]+	159.08765	143.4
[M+K]+	180.01699	133.0
[M+H-H2O]+	124.05109	118.6
[M+HCOO]-	186.05203	148.1
[M+CH3COO]-	200.06768	171.8
[M+Na-2H]-	162.02850	132.9
[M]+	141.05328	124.0
[M]-	141.05438	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe