CID 202143

Beta-(p-chlorophenyl)-1-piperidineethanol

Structural Information

Molecular Formula
C13H18ClNO
SMILES
C1CCN(CC1)C(CO)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H18ClNO/c14-12-6-4-11(5-7-12)13(10-16)15-8-2-1-3-9-15/h4-7,13,16H,1-3,8-10H2
InChIKey
IGVHAXNDDSSBHC-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-piperidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 154.0
[M+Na]+ 262.09692 158.9
[M-H]- 238.10042 156.7
[M+NH4]+ 257.14152 170.0
[M+K]+ 278.07086 154.0
[M+H-H2O]+ 222.10496 146.9
[M+HCOO]- 284.10590 166.2
[M+CH3COO]- 298.12155 187.8
[M+Na-2H]- 260.08237 156.8
[M]+ 239.10715 150.3
[M]- 239.10825 150.3
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.