CID 26998

2-nitropyridine

Structural Information

Molecular Formula
C5H4N2O2
SMILES
C1=CC=NC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C5H4N2O2/c8-7(9)5-3-1-2-4-6-5/h1-4H
InChIKey
HLTDBMHJSBSAOM-UHFFFAOYSA-N
Compound name
2-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

8704
Patents

124.027275 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.03455 118.7
[M+Na]+ 147.01649 126.8
[M-H]- 123.02000 121.5
[M+NH4]+ 142.06110 138.8
[M+K]+ 162.99043 122.1
[M+H-H2O]+ 107.02454 117.3
[M+HCOO]- 169.02548 144.6
[M+CH3COO]- 183.04113 163.2
[M+Na-2H]- 145.00194 130.1
[M]+ 124.02673 116.6
[M]- 124.02782 116.6
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