CID 460080

2,8-diisopropyl-4-methylquinoline

Structural Information

Molecular Formula

C₁₆H₂₁N

SMILES

CC1=CC(=NC2=C1C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C16H21N/c1-10(2)13-7-6-8-14-12(5)9-15(11(3)4)17-16(13)14/h6-11H,1-5H3

InChIKey

MMEBQUCAQPLLRS-UHFFFAOYSA-N

Compound name

4-methyl-2,8-di(propan-2-yl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 227.1674 Da
Monoisotopic Mass: 4.8
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]+	228.17468	153.9
[M+Na]+	250.15662	162.1
[M-H]-	226.16012	157.3
[M+NH4]+	245.20122	172.5
[M+K]+	266.13056	158.6
[M+H-H2O]+	210.16466	147.0
[M+HCOO]-	272.16560	172.7
[M+CH3COO]-	286.18125	197.6
[M+Na-2H]-	248.14207	157.2
[M]+	227.16685	155.5
[M]-	227.16795	155.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.