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 155.3
[M+Na]+ 272.08933 160.6
[M-H]- 248.09283 158.7
[M+NH4]+ 267.13393 171.5
[M+K]+ 288.06327 158.1
[M+H-H2O]+ 232.09737 147.6
[M+HCOO]- 294.09831 175.3
[M+CH3COO]- 308.11396 187.5
[M+Na-2H]- 270.07478 157.1
[M]+ 249.09956 154.5
[M]- 249.10066 154.5
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