CID 11378672

30235-12-2

Structural Information

Molecular Formula
C7H5N3O2
SMILES
CC1=CC(=CC(=N1)C#N)[N+](=O)[O-]
InChI
InChI=1S/C7H5N3O2/c1-5-2-7(10(11)12)3-6(4-8)9-5/h2-3H,1H3
InChIKey
VITXYPUCOQUWPJ-UHFFFAOYSA-N
Compound name
6-methyl-4-nitropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

163.03818 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04546 134.1
[M+Na]+ 186.02740 144.3
[M-H]- 162.03090 136.3
[M+NH4]+ 181.07200 150.8
[M+K]+ 202.00134 138.9
[M+H-H2O]+ 146.03544 125.3
[M+HCOO]- 208.03638 155.1
[M+CH3COO]- 222.05203 185.9
[M+Na-2H]- 184.01285 141.8
[M]+ 163.03763 128.1
[M]- 163.03873 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe