CID 98137

Diethyl 3-isopropyl-5-oxo-2,2-pyrrolidinedicarboxylate

Structural Information

Molecular Formula
C13H21NO5
SMILES
CCOC(=O)C1(C(CC(=O)N1)C(C)C)C(=O)OCC
InChI
InChI=1S/C13H21NO5/c1-5-18-11(16)13(12(17)19-6-2)9(8(3)4)7-10(15)14-13/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKey
GHUDFDQSAFRDJZ-UHFFFAOYSA-N
Compound name
diethyl 5-oxo-3-propan-2-ylpyrrolidine-2,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

271.14197 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 163.6
[M+Na]+ 294.13119 169.6
[M+NH4]+ 289.17579 168.8
[M+K]+ 310.10513 167.4
[M-H]- 270.13469 160.1
[M+Na-2H]- 292.11664 164.0
[M]+ 271.14142 162.9
[M]- 271.14252 162.9
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