CID 962627

7-chloro-4-(1-pyrrolidinyl)quinoline

Structural Information

Molecular Formula

C₁₃H₁₃ClN₂

SMILES

C1CCN(C1)C2=C3C=CC(=CC3=NC=C2)Cl

InChI

InChI=1S/C13H13ClN2/c14-10-3-4-11-12(9-10)15-6-5-13(11)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2

InChIKey

RKVBRQUSBUXPGZ-UHFFFAOYSA-N

Compound name

7-chloro-4-pyrrolidin-1-ylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 1
Patents: 232.07672 Da
Monoisotopic Mass: 3.6
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]+	233.08400	150.0
[M+Na]+	255.06594	165.5
[M+NH4]+	250.11054	160.4
[M+K]+	271.03988	158.1
[M-H]-	231.06944	154.5
[M+Na-2H]-	253.05139	158.5
[M]+	232.07617	153.9
[M]-	232.07727	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe