CID 43200255

4-(3-carbamoylpiperidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C13H16N2O3
SMILES
C1CC(CN(C1)C2=CC=C(C=C2)C(=O)O)C(=O)N
InChI
InChI=1S/C13H16N2O3/c14-12(16)10-2-1-7-15(8-10)11-5-3-9(4-6-11)13(17)18/h3-6,10H,1-2,7-8H2,(H2,14,16)(H,17,18)
InChIKey
POZFBOCPKOCIHY-UHFFFAOYSA-N
Compound name
4-(3-carbamoylpiperidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.123366 156.0
[M+Na]+ 271.105308 160.3
[M-H]- 247.108814 158.9
[M+NH4]+ 266.149913 170.0
[M+K]+ 287.079248 157.4
[M+H-H2O]+ 231.113350 148.1
[M+HCOO]- 293.114291 173.0
[M+CH3COO]- 307.129941 193.3
[M+Na-2H]- 269.090756 156.8
[M]+ 248.11554142 149.8
[M]- 248.11663858 149.8
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.