CID 22245493

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

325
Patents

225.09204 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09932 149.9
[M+Na]+ 248.08126 156.1
[M-H]- 224.08476 151.7
[M+NH4]+ 243.12586 167.9
[M+K]+ 264.05520 150.3
[M+H-H2O]+ 208.08930 143.8
[M+HCOO]- 270.09024 162.0
[M+CH3COO]- 284.10589 160.5
[M+Na-2H]- 246.06671 154.9
[M]+ 225.09149 144.9
[M]- 225.09259 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

patents stripe