CID 3064362

4-piperidone, 1-(1-(p-chlorophenyl)cyclohexyl)-, hydrobromide

Structural Information

Molecular Formula
C17H22ClNO
SMILES
C1CCC(CC1)(C2=CC=C(C=C2)Cl)N3CCC(=O)CC3
InChI
InChI=1S/C17H22ClNO/c18-15-6-4-14(5-7-15)17(10-2-1-3-11-17)19-12-8-16(20)9-13-19/h4-7H,1-3,8-13H2
InChIKey
QPUQLZOCQUMWAS-UHFFFAOYSA-N
Compound name
1-[1-(4-chlorophenyl)cyclohexyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.13898 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14626 170.1
[M+Na]+ 314.12820 174.4
[M-H]- 290.13170 176.5
[M+NH4]+ 309.17280 186.1
[M+K]+ 330.10214 168.7
[M+H-H2O]+ 274.13624 161.0
[M+HCOO]- 336.13718 180.6
[M+CH3COO]- 350.15283 179.4
[M+Na-2H]- 312.11365 171.6
[M]+ 291.13843 163.2
[M]- 291.13953 163.2
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.