CID 80169

Ethyl diethoxyacetate

Structural Information

Molecular Formula
C8H16O4
SMILES
CCOC(C(=O)OCC)OCC
InChI
InChI=1S/C8H16O4/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3
InChIKey
XCLBIKIQSCTANZ-UHFFFAOYSA-N
Compound name
ethyl 2,2-diethoxyacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1049
Patents

176.10486 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11214 138.9
[M+Na]+ 199.09408 145.2
[M-H]- 175.09758 139.0
[M+NH4]+ 194.13868 159.2
[M+K]+ 215.06802 146.7
[M+H-H2O]+ 159.10212 133.8
[M+HCOO]- 221.10306 161.3
[M+CH3COO]- 235.11871 181.3
[M+Na-2H]- 197.07953 142.5
[M]+ 176.10431 144.8
[M]- 176.10541 144.8
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.