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]+ 252.151346 159.3
[M+Na]+ 274.133288 165.0
[M-H]- 250.136794 163.3
[M+NH4]+ 269.177893 177.6
[M+K]+ 290.107228 159.8
[M+H-H2O]+ 234.141330 151.9
[M+HCOO]- 296.142271 173.1
[M+CH3COO]- 310.157921 193.1
[M+Na-2H]- 272.118736 163.5
[M]+ 251.14352142 157.5
[M]- 251.14461858 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.