CID 45842400

1-(3-chlorobenzoyl)piperidin-3-ol

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
C1CC(CN(C1)C(=O)C2=CC(=CC=C2)Cl)O
InChI
InChI=1S/C12H14ClNO2/c13-10-4-1-3-9(7-10)12(16)14-6-2-5-11(15)8-14/h1,3-4,7,11,15H,2,5-6,8H2
InChIKey
JMOPOVWQVQBGKD-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0713 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 151.3
[M+Na]+ 262.06052 158.0
[M-H]- 238.06402 154.7
[M+NH4]+ 257.10512 167.6
[M+K]+ 278.03446 153.3
[M+H-H2O]+ 222.06856 144.7
[M+HCOO]- 284.06950 164.3
[M+CH3COO]- 298.08515 186.6
[M+Na-2H]- 260.04597 154.0
[M]+ 239.07075 148.4
[M]- 239.07185 148.4
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.