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]+ 249.12337 156.0
[M+Na]+ 271.10531 160.3
[M-H]- 247.10881 158.9
[M+NH4]+ 266.14991 170.0
[M+K]+ 287.07925 157.4
[M+H-H2O]+ 231.11335 148.1
[M+HCOO]- 293.11429 173.0
[M+CH3COO]- 307.12994 193.3
[M+Na-2H]- 269.09076 156.8
[M]+ 248.11554 149.8
[M]- 248.11664 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.