CID 202143

7550-28-9

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]+ 240.114976 154.0
[M+Na]+ 262.096918 158.9
[M-H]- 238.100424 156.7
[M+NH4]+ 257.141523 170.0
[M+K]+ 278.070858 154.0
[M+H-H2O]+ 222.104960 146.9
[M+HCOO]- 284.105901 166.2
[M+CH3COO]- 298.121551 187.8
[M+Na-2H]- 260.082366 156.8
[M]+ 239.10715142 150.3
[M]- 239.10824858 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.