CID 3060079

77694-22-5

Structural Information

Molecular Formula
C12H19NO5
SMILES
CCOC(=O)CCC(=O)NC1CC(OC1=O)(C)C
InChI
InChI=1S/C12H19NO5/c1-4-17-10(15)6-5-9(14)13-8-7-12(2,3)18-11(8)16/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
PGKFBAXRSGOXMG-UHFFFAOYSA-N
Compound name
ethyl 4-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1263 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 156.5
[M+Na]+ 280.11552 162.5
[M-H]- 256.11902 160.5
[M+NH4]+ 275.16012 175.6
[M+K]+ 296.08946 163.3
[M+H-H2O]+ 240.12356 152.0
[M+HCOO]- 302.12450 177.6
[M+CH3COO]- 316.14015 196.2
[M+Na-2H]- 278.10097 158.4
[M]+ 257.12575 160.0
[M]- 257.12685 160.0
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

No patent data available for this compound.