CID 3648390

251924-83-1

Structural Information

Molecular Formula
C12H19NO5
SMILES
CCOC(=O)C1CCC(=O)N1C(=O)OC(C)(C)C
InChI
InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-7-9(14)13(8)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3
InChIKey
YWWWGFSJHCFVOW-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-ethyl 5-oxopyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

686
Patents

257.1263 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.133576 157.3
[M+Na]+ 280.115518 163.8
[M-H]- 256.119024 159.5
[M+NH4]+ 275.160123 175.0
[M+K]+ 296.089458 164.1
[M+H-H2O]+ 240.123560 151.9
[M+HCOO]- 302.124501 175.6
[M+CH3COO]- 316.140151 193.1
[M+Na-2H]- 278.100966 157.5
[M]+ 257.12575142 160.6
[M]- 257.12684858 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