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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08400 151.2
[M+Na]+ 255.06594 160.2
[M-H]- 231.06944 155.6
[M+NH4]+ 250.11054 169.9
[M+K]+ 271.03988 154.3
[M+H-H2O]+ 215.07398 142.9
[M+HCOO]- 277.07492 166.2
[M+CH3COO]- 291.09057 163.3
[M+Na-2H]- 253.05139 155.8
[M]+ 232.07617 150.3
[M]- 232.07727 150.3
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