CID 5007456

3-(piperidin-2-yl)quinoline dihydrochloride

Structural Information

Molecular Formula
C14H16N2
SMILES
C1CCNC(C1)C2=CC3=CC=CC=C3N=C2
InChI
InChI=1S/C14H16N2/c1-2-6-13-11(5-1)9-12(10-16-13)14-7-3-4-8-15-14/h1-2,5-6,9-10,14-15H,3-4,7-8H2
InChIKey
AKCWNPNUEGRCQW-UHFFFAOYSA-N
Compound name
3-piperidin-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.13135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 148.2
[M+Na]+ 235.120568 153.6
[M-H]- 211.124074 150.5
[M+NH4]+ 230.165173 163.8
[M+K]+ 251.094508 148.1
[M+H-H2O]+ 195.128610 139.1
[M+HCOO]- 257.129551 163.8
[M+CH3COO]- 271.145201 158.5
[M+Na-2H]- 233.106016 155.2
[M]+ 212.13080142 141.1
[M]- 212.13189858 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe