CID 2783018

451485-55-5

Structural Information

Molecular Formula
C13H16FNO2
SMILES
C1CN(CCC1C(=O)O)CC2=CC(=CC=C2)F
InChI
InChI=1S/C13H16FNO2/c14-12-3-1-2-10(8-12)9-15-6-4-11(5-7-15)13(16)17/h1-3,8,11H,4-7,9H2,(H,16,17)
InChIKey
LEPXIYAGAGJNQC-UHFFFAOYSA-N
Compound name
1-[(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

237.1165 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.123776 152.9
[M+Na]+ 260.105718 158.3
[M-H]- 236.109224 154.8
[M+NH4]+ 255.150323 168.2
[M+K]+ 276.079658 154.7
[M+H-H2O]+ 220.113760 144.3
[M+HCOO]- 282.114701 169.0
[M+CH3COO]- 296.130351 189.2
[M+Na-2H]- 258.091166 154.8
[M]+ 237.11595142 147.2
[M]- 237.11704858 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

No literature data available for this compound.

Patent stripe

patents stripe