CID 597787

4-methylquinoline-2-carbonitrile

Structural Information

Molecular Formula

C₁₁H₈N₂

SMILES

CC1=CC(=NC2=CC=CC=C12)C#N

InChI

InChI=1S/C11H8N2/c1-8-6-9(7-12)13-11-5-3-2-4-10(8)11/h2-6H,1H3

InChIKey

MLZSCKRIEGYCKD-UHFFFAOYSA-N

Compound name

4-methylquinoline-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 168.06874 Da
Monoisotopic Mass: 2.6
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]+	169.07602	138.3
[M+Na]+	191.05796	153.2
[M+NH4]+	186.10256	144.6
[M+K]+	207.03190	142.0
[M-H]-	167.06146	134.3
[M+Na-2H]-	189.04341	144.0
[M]+	168.06819	138.7
[M]-	168.06929	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe