CID 3136474

1-benzoylpiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H15NO3
SMILES
C1CC(CN(C1)C(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H15NO3/c15-12(10-5-2-1-3-6-10)14-8-4-7-11(9-14)13(16)17/h1-3,5-6,11H,4,7-9H2,(H,16,17)
InChIKey
BVUJBJCCSDLXPU-UHFFFAOYSA-N
Compound name
1-benzoylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

233.1052 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

patents stripe