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

56
Patents

163.03818 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.045456 134.1
[M+Na]+ 186.027398 144.3
[M-H]- 162.030904 136.3
[M+NH4]+ 181.072003 150.8
[M+K]+ 202.001338 138.9
[M+H-H2O]+ 146.035440 125.3
[M+HCOO]- 208.036381 155.1
[M+CH3COO]- 222.052031 185.9
[M+Na-2H]- 184.012846 141.8
[M]+ 163.03763142 128.1
[M]- 163.03872858 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