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 154.0
[M+Na]+ 260.10572 159.0
[M-H]- 236.10922 154.6
[M+NH4]+ 255.15032 170.3
[M+K]+ 276.07966 154.9
[M+H-H2O]+ 220.11376 146.2
[M+HCOO]- 282.11470 168.7
[M+CH3COO]- 296.13035 185.0
[M+Na-2H]- 258.09117 157.2
[M]+ 237.11595 146.4
[M]- 237.11705 146.4
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.