CID 72941918

Phenoxyethyl pca

Structural Information

Molecular Formula
C13H15NO4
SMILES
C1CC(=O)N[C@@H]1C(=O)OCCOC2=CC=CC=C2
InChI
InChI=1S/C13H15NO4/c15-12-7-6-11(14-12)13(16)18-9-8-17-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1
InChIKey
IBJOBFSVAQOVRA-NSHDSACASA-N
Compound name
2-phenoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10011 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 157.1
[M+Na]+ 272.08933 166.7
[M+NH4]+ 267.13393 163.2
[M+K]+ 288.06327 163.4
[M-H]- 248.09283 157.7
[M+Na-2H]- 270.07478 161.5
[M]+ 249.09956 158.2
[M]- 249.10066 158.2
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.