CID 14536

2,4-dimethylquinoline

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

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

InChI

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

InChIKey

ZTNANFDSJRRZRJ-UHFFFAOYSA-N

Compound name

2,4-dimethylquinoline

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 1216
Patents: 157.08914 Da
Monoisotopic Mass: 3.0
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]+	158.096416	130.9
[M+Na]+	180.078358	140.9
[M-H]-	156.081864	134.6
[M+NH4]+	175.122963	152.2
[M+K]+	196.052298	137.6
[M+H-H2O]+	140.086400	124.5
[M+HCOO]-	202.087341	153.5
[M+CH3COO]-	216.102991	145.3
[M+Na-2H]-	178.063806	140.1
[M]+	157.08859142	131.6
[M]-	157.08968858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe