CID 55178566

4-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C13H16FNO2
SMILES
C1CNCCC1(CC2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C13H16FNO2/c14-11-3-1-2-10(8-11)9-13(12(16)17)4-6-15-7-5-13/h1-3,8,15H,4-7,9H2,(H,16,17)
InChIKey
WAWXZERSHBAUOZ-UHFFFAOYSA-N
Compound name
4-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1165 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12378 155.6
[M+Na]+ 260.10572 165.9
[M+NH4]+ 255.15032 163.7
[M+K]+ 276.07966 158.1
[M-H]- 236.10922 156.2
[M+Na-2H]- 258.09117 162.2
[M]+ 237.11595 157.1
[M]- 237.11705 157.1
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.