CID 114372

Piperidine, 1-butyl-4-chloro-4-phenyl-, hydrochloride

Structural Information

Molecular Formula
C15H22ClN
SMILES
CCCCN1CCC(CC1)(C2=CC=CC=C2)Cl
InChI
InChI=1S/C15H22ClN/c1-2-3-11-17-12-9-15(16,10-13-17)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3
InChIKey
LIFYOLRSCOIASX-UHFFFAOYSA-N
Compound name
1-butyl-4-chloro-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14407 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15135 159.3
[M+Na]+ 274.13329 165.0
[M-H]- 250.13679 163.3
[M+NH4]+ 269.17789 177.6
[M+K]+ 290.10723 159.8
[M+H-H2O]+ 234.14133 151.9
[M+HCOO]- 296.14227 173.1
[M+CH3COO]- 310.15792 193.1
[M+Na-2H]- 272.11874 163.5
[M]+ 251.14352 157.5
[M]- 251.14462 157.5
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

No patent data available for this compound.