CID 11040699

5-nitropyrimidine

Structural Information

Molecular Formula
C4H3N3O2
SMILES
C1=C(C=NC=N1)[N+](=O)[O-]
InChI
InChI=1S/C4H3N3O2/c8-7(9)4-1-5-3-6-2-4/h1-3H
InChIKey
NOYDQGFVFOQSAJ-UHFFFAOYSA-N
Compound name
5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1840
Patents

125.02253 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.02981 118.1
[M+Na]+ 148.01175 126.5
[M-H]- 124.01525 119.6
[M+NH4]+ 143.05635 136.7
[M+K]+ 163.98569 121.9
[M+H-H2O]+ 108.01979 115.8
[M+HCOO]- 170.02073 143.0
[M+CH3COO]- 184.03638 163.0
[M+Na-2H]- 145.99720 130.3
[M]+ 125.02198 116.0
[M]- 125.02308 116.0
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