CID 207650

30380-70-2

Structural Information

Molecular Formula
C13H15NO3
SMILES
C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H15NO3/c15-12-8-11(13(16)17)9-14(12)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)
InChIKey
WXPXDXDHJYRETJ-UHFFFAOYSA-N
Compound name
5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

32
Patents

233.1052 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 152.0
[M+Na]+ 256.09442 158.4
[M-H]- 232.09792 155.8
[M+NH4]+ 251.13902 169.3
[M+K]+ 272.06836 155.3
[M+H-H2O]+ 216.10246 144.9
[M+HCOO]- 278.10340 171.8
[M+CH3COO]- 292.11905 187.3
[M+Na-2H]- 254.07987 153.1
[M]+ 233.10465 150.3
[M]- 233.10575 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe