CID 75105

2164-83-2

Structural Information

Molecular Formula
C4H3N3O4
SMILES
C1=NC(=C(C(=O)N1)[N+](=O)[O-])O
InChI
InChI=1S/C4H3N3O4/c8-3-2(7(10)11)4(9)6-1-5-3/h1H,(H2,5,6,8,9)
InChIKey
ABTLZAVJDRUDNG-UHFFFAOYSA-N
Compound name
4-hydroxy-5-nitro-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

153
Patents

157.01236 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.01964 123.4
[M+Na]+ 180.00158 132.8
[M-H]- 156.00508 122.9
[M+NH4]+ 175.04618 139.6
[M+K]+ 195.97552 126.5
[M+H-H2O]+ 140.00962 121.7
[M+HCOO]- 202.01056 145.8
[M+CH3COO]- 216.02621 162.8
[M+Na-2H]- 177.98703 133.5
[M]+ 157.01181 120.3
[M]- 157.01291 120.3
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