CID 169388

Ethyl 3,3-diethoxyacrylate

Structural Information

Molecular Formula
C9H16O4
SMILES
CCOC(=CC(=O)OCC)OCC
InChI
InChI=1S/C9H16O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h7H,4-6H2,1-3H3
InChIKey
POJGRKZMYVJCST-UHFFFAOYSA-N
Compound name
ethyl 3,3-diethoxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

372
Patents

188.10486 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 142.4
[M+Na]+ 211.09408 150.9
[M+NH4]+ 206.13868 148.2
[M+K]+ 227.06802 146.8
[M-H]- 187.09758 139.9
[M+Na-2H]- 209.07953 143.9
[M]+ 188.10431 142.5
[M]- 188.10541 142.5
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