CID 30108

O-(piperidinocarbonyl)benzoic acid

Structural Information

Molecular Formula
C13H15NO3
SMILES
C1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C13H15NO3/c15-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)13(16)17/h2-3,6-7H,1,4-5,8-9H2,(H,16,17)
InChIKey
BIUIFJPSZVWHIX-UHFFFAOYSA-N
Compound name
2-(piperidine-1-carbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

233.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 152.0
[M+Na]+ 256.09442 156.3
[M-H]- 232.09792 155.1
[M+NH4]+ 251.13902 167.0
[M+K]+ 272.06836 153.8
[M+H-H2O]+ 216.10246 144.3
[M+HCOO]- 278.10340 168.6
[M+CH3COO]- 292.11905 186.9
[M+Na-2H]- 254.07987 154.1
[M]+ 233.10465 147.0
[M]- 233.10575 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