CID 15043278

51814-19-8

Structural Information

Molecular Formula
C15H17NO5
SMILES
CCOC(=O)C1CN(CC1=O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H17NO5/c1-2-20-14(18)12-8-16(9-13(12)17)15(19)21-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKey
FRNZCPLVDNHRIH-UHFFFAOYSA-N
Compound name
1-O-benzyl 3-O-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

291.1107 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11798 166.8
[M+Na]+ 314.09992 176.1
[M+NH4]+ 309.14452 172.0
[M+K]+ 330.07386 173.6
[M-H]- 290.10342 167.0
[M+Na-2H]- 312.08537 170.3
[M]+ 291.11015 167.6
[M]- 291.11125 167.6
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