CID 3939326

1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid

Structural Information

Molecular Formula
C13H16FNO2
SMILES
C1CCN(C(C1)C(=O)O)CC2=CC(=CC=C2)F
InChI
InChI=1S/C13H16FNO2/c14-11-5-3-4-10(8-11)9-15-7-2-1-6-12(15)13(16)17/h3-5,8,12H,1-2,6-7,9H2,(H,16,17)
InChIKey
QEHMFYMCFXCQIA-UHFFFAOYSA-N
Compound name
1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

237.1165 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12378 152.9
[M+Na]+ 260.10572 158.3
[M-H]- 236.10922 154.8
[M+NH4]+ 255.15032 168.2
[M+K]+ 276.07966 154.7
[M+H-H2O]+ 220.11376 144.3
[M+HCOO]- 282.11470 169.0
[M+CH3COO]- 296.13035 189.2
[M+Na-2H]- 258.09117 154.8
[M]+ 237.11595 147.2
[M]- 237.11705 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.