CID 16228257

923226-69-1

Structural Information

Molecular Formula
C13H15FN2O3
SMILES
C1CC(CN(C1)C(=O)NC2=CC=CC=C2F)C(=O)O
InChI
InChI=1S/C13H15FN2O3/c14-10-5-1-2-6-11(10)15-13(19)16-7-3-4-9(8-16)12(17)18/h1-2,5-6,9H,3-4,7-8H2,(H,15,19)(H,17,18)
InChIKey
KPDQYWXXBXYFHQ-UHFFFAOYSA-N
Compound name
1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10666 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11394 158.7
[M+Na]+ 289.09588 163.2
[M-H]- 265.09938 160.7
[M+NH4]+ 284.14048 172.3
[M+K]+ 305.06982 160.2
[M+H-H2O]+ 249.10392 149.8
[M+HCOO]- 311.10486 175.3
[M+CH3COO]- 325.12051 195.2
[M+Na-2H]- 287.08133 160.0
[M]+ 266.10611 152.3
[M]- 266.10721 152.3
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.