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: 48
Patents: 163.03818 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	164.04546	132.3
[M+Na]+	186.02740	145.5
[M+NH4]+	181.07200	136.9
[M+K]+	202.00134	139.1
[M-H]-	162.03090	127.8
[M+Na-2H]-	184.01285	136.5
[M]+	163.03763	131.9
[M]-	163.03873	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe