CID 16753421

897043-85-5

Structural Information

Molecular Formula
C13H21NO5
SMILES
CCOC(=O)C1(CN(CC1=O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H21NO5/c1-6-18-10(16)13(5)8-14(7-9(13)15)11(17)19-12(2,3)4/h6-8H2,1-5H3
InChIKey
YDASEKAEWNKGEJ-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-ethyl 3-methyl-4-oxopyrrolidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

271.14197 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 159.4
[M+Na]+ 294.13119 166.5
[M-H]- 270.13469 161.7
[M+NH4]+ 289.17579 178.6
[M+K]+ 310.10513 166.8
[M+H-H2O]+ 254.13923 155.2
[M+HCOO]- 316.14017 177.4
[M+CH3COO]- 330.15582 195.7
[M+Na-2H]- 292.11664 160.8
[M]+ 271.14142 163.5
[M]- 271.14252 163.5
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