CID 23144382

4-[(2-oxopiperidin-1-yl)methyl]benzoic acid

Structural Information

Molecular Formula
C13H15NO3
SMILES
C1CCN(C(=O)C1)CC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H15NO3/c15-12-3-1-2-8-14(12)9-10-4-6-11(7-5-10)13(16)17/h4-7H,1-3,8-9H2,(H,16,17)
InChIKey
HPJMPDRAOPTWDC-UHFFFAOYSA-N
Compound name
4-[(2-oxopiperidin-1-yl)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

233.1052 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.112476 151.6
[M+Na]+ 256.094418 157.1
[M-H]- 232.097924 155.0
[M+NH4]+ 251.139023 166.9
[M+K]+ 272.068358 154.0
[M+H-H2O]+ 216.102460 143.9
[M+HCOO]- 278.103401 169.2
[M+CH3COO]- 292.119051 187.8
[M+Na-2H]- 254.079866 154.2
[M]+ 233.10465142 147.7
[M]- 233.10574858 147.7
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