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

2
Patents

212.13135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 148.2
[M+Na]+ 235.12057 153.6
[M-H]- 211.12407 150.5
[M+NH4]+ 230.16517 163.8
[M+K]+ 251.09451 148.1
[M+H-H2O]+ 195.12861 139.1
[M+HCOO]- 257.12955 163.8
[M+CH3COO]- 271.14520 158.5
[M+Na-2H]- 233.10602 155.2
[M]+ 212.13080 141.1
[M]- 212.13190 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