CID 62787599

4-[(3-chlorophenyl)methyl]piperidin-4-ol

Structural Information

Molecular Formula
C12H16ClNO
SMILES
C1CNCCC1(CC2=CC(=CC=C2)Cl)O
InChI
InChI=1S/C12H16ClNO/c13-11-3-1-2-10(8-11)9-12(15)4-6-14-7-5-12/h1-3,8,14-15H,4-7,9H2
InChIKey
PKPWMGLMTRZDRJ-UHFFFAOYSA-N
Compound name
4-[(3-chlorophenyl)methyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09204 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.099316 149.9
[M+Na]+ 248.081258 156.1
[M-H]- 224.084764 151.7
[M+NH4]+ 243.125863 167.9
[M+K]+ 264.055198 150.3
[M+H-H2O]+ 208.089300 143.8
[M+HCOO]- 270.090241 162.0
[M+CH3COO]- 284.105891 160.5
[M+Na-2H]- 246.066706 154.9
[M]+ 225.09149142 144.9
[M]- 225.09258858 144.9
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.