CID 11032528

1-tert-butyl 2-ethyl 3-oxopyrrolidine-1,2-dicarboxylate

Structural Information

Molecular Formula
C12H19NO5
SMILES
CCOC(=O)C1C(=O)CCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C12H19NO5/c1-5-17-10(15)9-8(14)6-7-13(9)11(16)18-12(2,3)4/h9H,5-7H2,1-4H3
InChIKey
XSFVPTGDKAJZDH-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-ethyl 3-oxopyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

257.1263 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 157.3
[M+Na]+ 280.11552 163.8
[M-H]- 256.11902 159.5
[M+NH4]+ 275.16012 175.0
[M+K]+ 296.08946 164.1
[M+H-H2O]+ 240.12356 151.9
[M+HCOO]- 302.12450 175.6
[M+CH3COO]- 316.14015 193.1
[M+Na-2H]- 278.10097 157.5
[M]+ 257.12575 160.6
[M]- 257.12685 160.6
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