CID 74005

(isobutyl)quinoline

Structural Information

Molecular Formula

C₁₃H₁₅N

SMILES

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

InChI

InChI=1S/C13H15N/c1-10(2)9-11-7-8-14-13-6-4-3-5-12(11)13/h3-8,10H,9H2,1-2H3

InChIKey

ZFIHCQGXRHANID-UHFFFAOYSA-N

Compound name

4-(2-methylpropyl)quinoline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 45
Patents: 185.12045 Da
Monoisotopic Mass: 3.8
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]+	186.12773	140.9
[M+Na]+	208.10967	148.7
[M-H]-	184.11317	143.9
[M+NH4]+	203.15427	160.6
[M+K]+	224.08361	145.4
[M+H-H2O]+	168.11771	133.9
[M+HCOO]-	230.11865	161.7
[M+CH3COO]-	244.13430	185.5
[M+Na-2H]-	206.09512	148.4
[M]+	185.11990	141.2
[M]-	185.12100	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe