CID 11665705

2-(2-oxopiperidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C12H13NO3
SMILES
C1CCN(C(=O)C1)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C12H13NO3/c14-11-7-3-4-8-13(11)10-6-2-1-5-9(10)12(15)16/h1-2,5-6H,3-4,7-8H2,(H,15,16)
InChIKey
JSLGWWWSTMZEOU-UHFFFAOYSA-N
Compound name
2-(2-oxopiperidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.096816 147.1
[M+Na]+ 242.078758 153.0
[M-H]- 218.082264 150.6
[M+NH4]+ 237.123363 163.0
[M+K]+ 258.052698 150.2
[M+H-H2O]+ 202.086800 139.6
[M+HCOO]- 264.087741 165.0
[M+CH3COO]- 278.103391 184.8
[M+Na-2H]- 240.064206 150.2
[M]+ 219.08899142 142.8
[M]- 219.09008858 142.8
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

patents stripe