CID 6365173

2-(1-pentenyl)quinoline

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

CCC/C=C/C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C14H15N/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15-13/h4-11H,2-3H2,1H3/b8-4+

InChIKey

ZAPKXDJGBCUUKL-XBXARRHUSA-N

Compound name

2-[(E)-pent-1-enyl]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 197.12045 Da
Monoisotopic Mass: 4.2
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]+	198.12773	144.2
[M+Na]+	220.10967	152.3
[M-H]-	196.11317	147.0
[M+NH4]+	215.15427	163.5
[M+K]+	236.08361	147.6
[M+H-H2O]+	180.11771	137.0
[M+HCOO]-	242.11865	166.0
[M+CH3COO]-	256.13430	186.1
[M+Na-2H]-	218.09512	152.4
[M]+	197.11990	144.7
[M]-	197.12100	144.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.