CID 313653

Ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C13H15NO3
SMILES
CCOC(=O)C1C(CNC1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H15NO3/c1-2-17-13(16)11-10(8-14-12(11)15)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,14,15)
InChIKey
QVGUCCHRJMBKNX-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-4-phenylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

29
Patents

233.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.112476 152.3
[M+Na]+ 256.094418 158.8
[M-H]- 232.097924 156.2
[M+NH4]+ 251.139023 169.7
[M+K]+ 272.068358 155.7
[M+H-H2O]+ 216.102460 145.2
[M+HCOO]- 278.103401 172.1
[M+CH3COO]- 292.119051 186.6
[M+Na-2H]- 254.079866 153.4
[M]+ 233.10465142 150.5
[M]- 233.10574858 150.5
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