CID 41070

4-acylo-4-(3-chlorofenylo)piperydyny chlorowodorku [polish]

Structural Information

Molecular Formula
C13H16ClNO
SMILES
CC(=O)C1(CCNCC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H16ClNO/c1-10(16)13(5-7-15-8-6-13)11-3-2-4-12(14)9-11/h2-4,9,15H,5-8H2,1H3
InChIKey
QJTHRDKEZRYUDA-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)piperidin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

237.09204 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.099316 152.7
[M+Na]+ 260.081258 158.9
[M-H]- 236.084764 155.9
[M+NH4]+ 255.125863 170.7
[M+K]+ 276.055198 153.7
[M+H-H2O]+ 220.089300 146.3
[M+HCOO]- 282.090241 165.2
[M+CH3COO]- 296.105891 186.6
[M+Na-2H]- 258.066706 156.5
[M]+ 237.09149142 148.6
[M]- 237.09258858 148.6
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