CID 13202147

Ethyl (+-)-4-(benzoyloxy)-2-oxo-1-pyrrolidineacetate

Structural Information

Molecular Formula
C15H17NO5
SMILES
CCOC(=O)CN1CC(CC1=O)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H17NO5/c1-2-20-14(18)10-16-9-12(8-13(16)17)21-15(19)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKey
ZCVQNCJGSSLSCZ-UHFFFAOYSA-N
Compound name
[1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidin-3-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1107 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11798 165.1
[M+Na]+ 314.09992 170.9
[M-H]- 290.10342 170.1
[M+NH4]+ 309.14452 180.5
[M+K]+ 330.07386 169.4
[M+H-H2O]+ 274.10796 157.3
[M+HCOO]- 336.10890 185.4
[M+CH3COO]- 350.12455 198.8
[M+Na-2H]- 312.08537 164.7
[M]+ 291.11015 167.4
[M]- 291.11125 167.4
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.