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]+ 258.133576 156.5
[M+Na]+ 280.115518 162.5
[M-H]- 256.119024 160.5
[M+NH4]+ 275.160123 175.6
[M+K]+ 296.089458 163.3
[M+H-H2O]+ 240.123560 152.0
[M+HCOO]- 302.124501 177.6
[M+CH3COO]- 316.140151 196.2
[M+Na-2H]- 278.100966 158.4
[M]+ 257.12575142 160.0
[M]- 257.12684858 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.