CID 358299

1-benzoylpiperidine-2-carboxylic acid

Structural Information

Molecular Formula
C13H15NO3
SMILES
C1CCN(C(C1)C(=O)O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H15NO3/c15-12(10-6-2-1-3-7-10)14-9-5-4-8-11(14)13(16)17/h1-3,6-7,11H,4-5,8-9H2,(H,16,17)
InChIKey
KSWNBXOCSNHTLX-UHFFFAOYSA-N
Compound name
1-benzoylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

23
Patents

233.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.112476 152.0
[M+Na]+ 256.094418 156.3
[M-H]- 232.097924 155.1
[M+NH4]+ 251.139023 167.0
[M+K]+ 272.068358 153.8
[M+H-H2O]+ 216.102460 144.3
[M+HCOO]- 278.103401 168.6
[M+CH3COO]- 292.119051 186.9
[M+Na-2H]- 254.079866 154.1
[M]+ 233.10465142 147.0
[M]- 233.10574858 147.0
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