CID 137630

3-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3191
Patents

124.027275 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.03455 118.6
[M+Na]+ 147.01649 132.8
[M+NH4]+ 142.06110 127.5
[M+K]+ 162.99043 129.4
[M-H]- 123.02000 121.8
[M+Na-2H]- 145.00194 126.9
[M]+ 124.02673 121.4
[M]- 124.02782 121.4
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