CID 67285

6-isopropylquinoline

Structural Information

Molecular Formula

C₁₂H₁₃N

SMILES

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

InChI

InChI=1S/C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9H,1-2H3

InChIKey

NKCQEIXYLHACJC-UHFFFAOYSA-N

Compound name

6-propan-2-ylquinoline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2327
Patents: 171.1048 Da
Monoisotopic Mass: 3.3
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]+	172.11208	136.4
[M+Na]+	194.09402	151.7
[M+NH4]+	189.13862	146.7
[M+K]+	210.06796	143.6
[M-H]-	170.09752	140.1
[M+Na-2H]-	192.07947	145.1
[M]+	171.10425	139.8
[M]-	171.10535	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe