CID 10868942

146256-98-6

Structural Information

Molecular Formula
C12H19NO5
SMILES
CCOC(=O)C1CN(CC1=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-13(7-9(8)14)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3
InChIKey
CWRFSVAKVCSOPI-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-ethyl 4-oxopyrrolidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
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

literature stripe

Patent stripe

patents stripe