CID 3022523

4-(4-chlorophenyl)-4-hydroxypiperidin-2-one

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
C1CNC(=O)CC1(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C11H12ClNO2/c12-9-3-1-8(2-4-9)11(15)5-6-13-10(14)7-11/h1-4,15H,5-7H2,(H,13,14)
InChIKey
FOZDUEGEXJAZGP-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-4-hydroxypiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.05565 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.062926 147.0
[M+Na]+ 248.044868 154.8
[M-H]- 224.048374 149.5
[M+NH4]+ 243.089473 165.2
[M+K]+ 264.018808 149.3
[M+H-H2O]+ 208.052910 141.3
[M+HCOO]- 270.053851 159.9
[M+CH3COO]- 284.069501 180.4
[M+Na-2H]- 246.030316 152.0
[M]+ 225.05510142 142.9
[M]- 225.05619858 142.9
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.