CID 4713643

1-(4-fluorobenzoyl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H14FNO3
SMILES
C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C13H14FNO3/c14-11-5-3-9(4-6-11)12(16)15-7-1-2-10(8-15)13(17)18/h3-6,10H,1-2,7-8H2,(H,17,18)
InChIKey
RVLHLMFNCSEIHG-UHFFFAOYSA-N
Compound name
1-(4-fluorobenzoyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

251.09576 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10304 154.6
[M+Na]+ 274.08498 160.0
[M-H]- 250.08848 156.7
[M+NH4]+ 269.12958 169.1
[M+K]+ 290.05892 156.9
[M+H-H2O]+ 234.09302 146.1
[M+HCOO]- 296.09396 170.1
[M+CH3COO]- 310.10961 190.7
[M+Na-2H]- 272.07043 155.4
[M]+ 251.09521 149.0
[M]- 251.09631 149.0
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

patents stripe