CID 10241606

Quinoline, 1-butyl-1,2,3,4-tetrahydro-

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CCCCN1CCCC2=CC=CC=C21

InChI

InChI=1S/C13H19N/c1-2-3-10-14-11-6-8-12-7-4-5-9-13(12)14/h4-5,7,9H,2-3,6,8,10-11H2,1H3

InChIKey

HIWBVBCKPRGRCD-UHFFFAOYSA-N

Compound name

1-butyl-3,4-dihydro-2H-quinoline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 45
Patents: 189.15175 Da
Monoisotopic Mass: 3.7
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]+	190.159026	143.8
[M+Na]+	212.140968	149.8
[M-H]-	188.144474	146.0
[M+NH4]+	207.185573	163.2
[M+K]+	228.114908	146.4
[M+H-H2O]+	172.149010	136.6
[M+HCOO]-	234.149951	162.8
[M+CH3COO]-	248.165601	185.3
[M+Na-2H]-	210.126416	150.4
[M]+	189.15120142	141.8
[M]-	189.15229858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe