CID 3062079

Quinoline, 4-(2-(4-piperidinyl)ethyl)-, dihydrochloride, monohydrate

Structural Information

Molecular Formula
C16H20N2
SMILES
C1CNCCC1CCC2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C16H20N2/c1-2-4-16-15(3-1)14(9-12-18-16)6-5-13-7-10-17-11-8-13/h1-4,9,12-13,17H,5-8,10-11H2
InChIKey
LGTBHOAANLAGKX-UHFFFAOYSA-N
Compound name
4-(2-piperidin-4-ylethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.16264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 157.1
[M+Na]+ 263.15186 161.7
[M-H]- 239.15536 159.0
[M+NH4]+ 258.19646 171.6
[M+K]+ 279.12580 155.7
[M+H-H2O]+ 223.15990 147.6
[M+HCOO]- 285.16084 172.1
[M+CH3COO]- 299.17649 166.6
[M+Na-2H]- 261.13731 163.0
[M]+ 240.16209 150.7
[M]- 240.16319 150.7
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