CID 3613556

30201-72-0

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

CCC1=C(N=C(NC1=O)N)O

InChI

InChI=1S/C6H9N3O2/c1-2-3-4(10)8-6(7)9-5(3)11/h2H2,1H3,(H4,7,8,9,10,11)

InChIKey

GJIYTJHETGATKF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 19
Patents: 155.06947 Da
Monoisotopic Mass: -0.6
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]+	156.07675	130.9
[M+Na]+	178.05869	141.0
[M-H]-	154.06219	129.8
[M+NH4]+	173.10329	148.0
[M+K]+	194.03263	137.6
[M+H-H2O]+	138.06673	124.6
[M+HCOO]-	200.06767	151.8
[M+CH3COO]-	214.08332	173.7
[M+Na-2H]-	176.04414	136.7
[M]+	155.06892	128.5
[M]-	155.07002	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe