CID 7059

6-methylquinoline

Structural Information

Molecular Formula

C₁₀H₉N

SMILES

CC1=CC2=C(C=C1)N=CC=C2

InChI

InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3

InChIKey

LUYISICIYVKBTA-UHFFFAOYSA-N

Compound name

6-methylquinoline

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 26
References: 5419
Patents: 143.0735 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]+	144.080776	126.3
[M+Na]+	166.062718	135.9
[M-H]-	142.066224	129.9
[M+NH4]+	161.107323	147.9
[M+K]+	182.036658	132.8
[M+H-H2O]+	126.070760	120.0
[M+HCOO]-	188.071701	149.3
[M+CH3COO]-	202.087351	140.8
[M+Na-2H]-	164.048166	136.9
[M]+	143.07295142	126.3
[M]-	143.07404858	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe