CID 3086211

(2-ethyl-2-((1-oxo-3-((1-oxo-2-propenyl)oxy)propoxy)methyl)-1,3-propanediyl)bis(oxy(3-oxo-3,1-propanediyl)) acrylate

Structural Information

Molecular Formula
C24H32O12
SMILES
CCC(COC(=O)CCOC(=O)C=C)(COC(=O)CCOC(=O)C=C)COC(=O)CCOC(=O)C=C
InChI
InChI=1S/C24H32O12/c1-5-18(25)31-12-9-21(28)34-15-24(8-4,16-35-22(29)10-13-32-19(26)6-2)17-36-23(30)11-14-33-20(27)7-3/h5-7H,1-3,8-17H2,4H3
InChIKey
WRLPYDYTKWCNDU-UHFFFAOYSA-N
Compound name
2,2-bis(3-prop-2-enoyloxypropanoyloxymethyl)butyl 3-prop-2-enoyloxypropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

109
Patents

512.1894 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.19668 222.2
[M+Na]+ 535.17862 231.4
[M-H]- 511.18212 229.8
[M+NH4]+ 530.22322 240.5
[M+K]+ 551.15256 227.4
[M+H-H2O]+ 495.18666 226.2
[M+HCOO]- 557.18760 229.5
[M+CH3COO]- 571.20325 238.4
[M+Na-2H]- 533.16407 214.5
[M]+ 512.18885 226.7
[M]- 512.18995 226.7
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