CID 17091

3,4-dimethylquinoline

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

CC1=C(C2=CC=CC=C2N=C1)C

InChI

InChI=1S/C11H11N/c1-8-7-12-11-6-4-3-5-10(11)9(8)2/h3-7H,1-2H3

InChIKey

QOSYOGXDDHFINM-UHFFFAOYSA-N

Compound name

3,4-dimethylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 209
Patents: 157.08914 Da
Monoisotopic Mass: 2.9
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]+	158.09642	131.4
[M+Na]+	180.07836	147.7
[M+NH4]+	175.12296	142.0
[M+K]+	196.05230	139.2
[M-H]-	156.08186	135.4
[M+Na-2H]-	178.06381	140.6
[M]+	157.08859	135.1
[M]-	157.08969	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe