CID 23245353

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

Structural Information

Molecular Formula
C13H15NO3
SMILES
C1CCN(C(=O)C1)C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H15NO3/c15-11-8-4-5-9-14(11)12(13(16)17)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2,(H,16,17)
InChIKey
CQHQRANYGPPLRE-UHFFFAOYSA-N
Compound name
2-(2-oxopiperidin-1-yl)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 151.7
[M+Na]+ 256.09442 156.0
[M-H]- 232.09792 154.8
[M+NH4]+ 251.13902 166.6
[M+K]+ 272.06836 153.4
[M+H-H2O]+ 216.10246 144.0
[M+HCOO]- 278.10340 168.3
[M+CH3COO]- 292.11905 187.5
[M+Na-2H]- 254.07987 153.9
[M]+ 233.10465 146.9
[M]- 233.10575 146.9
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.