CID 66131

4(1h)-pyrimidinone, 2-amino-6-hydroxy-

Structural Information

Molecular Formula
C4H5N3O2
SMILES
C1=C(N=C(NC1=O)N)O
InChI
InChI=1S/C4H5N3O2/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9)
InChIKey
AUFJTVGCSJNQIF-UHFFFAOYSA-N
Compound name
2-amino-4-hydroxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

1330
Patents

127.03818 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.04546 121.6
[M+Na]+ 150.02740 131.6
[M-H]- 126.03090 120.5
[M+NH4]+ 145.07200 139.6
[M+K]+ 166.00134 128.7
[M+H-H2O]+ 110.03544 115.4
[M+HCOO]- 172.03638 143.2
[M+CH3COO]- 186.05203 166.3
[M+Na-2H]- 148.01285 129.3
[M]+ 127.03763 118.2
[M]- 127.03873 118.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe