CID 137698753

1880830-14-7

Structural Information

Molecular Formula
C10H14O5
SMILES
CCOC(=O)C(=O)C1COC(C1=O)(C)C
InChI
InChI=1S/C10H14O5/c1-4-14-9(13)7(11)6-5-15-10(2,3)8(6)12/h6H,4-5H2,1-3H3
InChIKey
AGNXAJRHVVXGPQ-UHFFFAOYSA-N
Compound name
ethyl 2-(5,5-dimethyl-4-oxooxolan-3-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.08412 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09140 142.1
[M+Na]+ 237.07334 149.9
[M-H]- 213.07684 146.5
[M+NH4]+ 232.11794 163.3
[M+K]+ 253.04728 151.2
[M+H-H2O]+ 197.08138 138.5
[M+HCOO]- 259.08232 162.9
[M+CH3COO]- 273.09797 185.8
[M+Na-2H]- 235.05879 144.8
[M]+ 214.08357 145.8
[M]- 214.08467 145.8
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.