CID 15451988

2-ethoxy-2-oxoethyl ethyl malonate

Structural Information

Molecular Formula
C9H14O6
SMILES
CCOC(=O)CC(=O)OCC(=O)OCC
InChI
InChI=1S/C9H14O6/c1-3-13-7(10)5-8(11)15-6-9(12)14-4-2/h3-6H2,1-2H3
InChIKey
AXFGWDDDEXHZPM-UHFFFAOYSA-N
Compound name
3-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

218.07904 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.086316 145.4
[M+Na]+ 241.068258 151.6
[M-H]- 217.071764 145.5
[M+NH4]+ 236.112863 163.8
[M+K]+ 257.042198 153.2
[M+H-H2O]+ 201.076300 140.0
[M+HCOO]- 263.077241 167.4
[M+CH3COO]- 277.092891 186.1
[M+Na-2H]- 239.053706 147.6
[M]+ 218.07849142 152.4
[M]- 218.07958858 152.4
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