CID 5090273

Ethyl 2,2,2-triethoxyacetate

Structural Information

Molecular Formula
C10H20O5
SMILES
CCOC(=O)C(OCC)(OCC)OCC
InChI
InChI=1S/C10H20O5/c1-5-12-9(11)10(13-6-2,14-7-3)15-8-4/h5-8H2,1-4H3
InChIKey
JWQIAVCJLYNXLJ-UHFFFAOYSA-N
Compound name
ethyl 2,2,2-triethoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

220.13107 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13835 150.1
[M+Na]+ 243.12029 156.2
[M-H]- 219.12379 150.1
[M+NH4]+ 238.16489 168.8
[M+K]+ 259.09423 157.6
[M+H-H2O]+ 203.12833 145.0
[M+HCOO]- 265.12927 171.6
[M+CH3COO]- 279.14492 188.8
[M+Na-2H]- 241.10574 154.9
[M]+ 220.13052 158.5
[M]- 220.13162 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe