CID 49760796

644981-88-4

Structural Information

Molecular Formula

C₁₂H₁₄FNO₂

SMILES

C1CNCCC1(C2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C12H14FNO2/c13-10-3-1-9(2-4-10)12(11(15)16)5-7-14-8-6-12/h1-4,14H,5-8H2,(H,15,16)

InChIKey

QFHFMHREPUBQBP-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 223.10086 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.10814	151.2
[M+Na]+	246.09008	161.6
[M+NH4]+	241.13468	159.5
[M+K]+	262.06402	154.1
[M-H]-	222.09358	151.8
[M+Na-2H]-	244.07553	158.0
[M]+	223.10031	152.7
[M]-	223.10141	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe