CID 8981

2,2,4-trimethyl-1,2-dihydroquinoline

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

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

InChI

InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3

InChIKey

ZNRLMGFXSPUZNR-UHFFFAOYSA-N

Compound name

2,2,4-trimethyl-1H-quinoline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 20
References: 26693
Patents: 173.12045 Da
Monoisotopic Mass: 2.8
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]+	174.12773	138.3
[M+Na]+	196.10967	153.1
[M+NH4]+	191.15427	149.8
[M+K]+	212.08361	143.1
[M-H]-	172.11317	141.5
[M+Na-2H]-	194.09512	147.1
[M]+	173.11990	141.7
[M]-	173.12100	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe