CID 568650

4-nitropyridine-2-carbonitrile

Structural Information

Molecular Formula
C6H3N3O2
SMILES
C1=CN=C(C=C1[N+](=O)[O-])C#N
InChI
InChI=1S/C6H3N3O2/c7-4-5-3-6(9(10)11)1-2-8-5/h1-3H
InChIKey
ONDDYTHSSNTDLR-UHFFFAOYSA-N
Compound name
4-nitropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

149.02252 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.02980 130.3
[M+Na]+ 172.01174 140.1
[M-H]- 148.01524 132.3
[M+NH4]+ 167.05634 147.2
[M+K]+ 187.98568 134.8
[M+H-H2O]+ 132.01978 121.4
[M+HCOO]- 194.02072 151.6
[M+CH3COO]- 208.03637 182.2
[M+Na-2H]- 169.99719 139.0
[M]+ 149.02197 123.6
[M]- 149.02307 123.6
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