CID 115157

(2-ethyl-2-((2-((1-oxoallyl)oxy)ethoxy)methyl)-1,3-propanediyl)bis(oxy-2,1-ethanediyl) diacrylate

Structural Information

Molecular Formula
C21H32O9
SMILES
CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C
InChI
InChI=1S/C21H32O9/c1-5-18(22)28-12-9-25-15-21(8-4,16-26-10-13-29-19(23)6-2)17-27-11-14-30-20(24)7-3/h5-7H,1-3,8-17H2,4H3
InChIKey
MTPIZGPBYCHTGQ-UHFFFAOYSA-N
Compound name
2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3691
Patents

428.20462 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.21190 202.5
[M+Na]+ 451.19384 210.6
[M-H]- 427.19734 202.5
[M+NH4]+ 446.23844 213.0
[M+K]+ 467.16778 205.5
[M+H-H2O]+ 411.20188 204.8
[M+HCOO]- 473.20282 216.1
[M+CH3COO]- 487.21847 225.4
[M+Na-2H]- 449.17929 194.5
[M]+ 428.20407 205.9
[M]- 428.20517 205.9
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