CID 95382

6281-58-9

Structural Information

Molecular Formula
C14H15ClN2
SMILES
CC1CCCN1C2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C14H15ClN2/c1-10-3-2-8-17(10)14-6-7-16-13-9-11(15)4-5-12(13)14/h4-7,9-10H,2-3,8H2,1H3
InChIKey
GYORBDCAYLXAIL-UHFFFAOYSA-N
Compound name
7-chloro-4-(2-methylpyrrolidin-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

246.09238 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.099656 156.1
[M+Na]+ 269.081598 165.6
[M-H]- 245.085104 160.7
[M+NH4]+ 264.126203 174.6
[M+K]+ 285.055538 159.5
[M+H-H2O]+ 229.089640 147.9
[M+HCOO]- 291.090581 170.8
[M+CH3COO]- 305.106231 168.2
[M+Na-2H]- 267.067046 159.4
[M]+ 246.09183142 156.0
[M]- 246.09292858 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe