CID 4375313

118630-28-7

Structural Information

Molecular Formula

C₁₄H₁₇N₃

SMILES

C1CN(CCN1)CC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C14H17N3/c1-2-4-14-12(3-1)5-6-13(16-14)11-17-9-7-15-8-10-17/h1-6,15H,7-11H2

InChIKey

VKUOCFNMBIBWEY-UHFFFAOYSA-N

Compound name

2-(piperazin-1-ylmethyl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 227.14224 Da
Monoisotopic Mass: 1.4
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]+	228.14952	153.3
[M+Na]+	250.13146	158.8
[M-H]-	226.13496	154.1
[M+NH4]+	245.17606	166.9
[M+K]+	266.10540	153.0
[M+H-H2O]+	210.13950	143.2
[M+HCOO]-	272.14044	167.5
[M+CH3COO]-	286.15609	162.8
[M+Na-2H]-	248.11691	160.3
[M]+	227.14169	146.7
[M]-	227.14279	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe