CID 175585

94108-97-1

Structural Information

Molecular Formula
C24H34O9
SMILES
CCC(COCC(CC)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
InChI
InChI=1S/C24H34O9/c1-7-19(25)30-15-23(11-5,16-31-20(26)8-2)13-29-14-24(12-6,17-32-21(27)9-3)18-33-22(28)10-4/h7-10H,1-4,11-18H2,5-6H3
InChIKey
XRMBQHTWUBGQDN-UHFFFAOYSA-N
Compound name
[2-[2,2-bis(prop-2-enoyloxymethyl)butoxymethyl]-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20545
Patents

466.22028 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.22756 205.9
[M+Na]+ 489.20950 214.9
[M-H]- 465.21300 210.4
[M+NH4]+ 484.25410 220.1
[M+K]+ 505.18344 212.1
[M+H-H2O]+ 449.21754 206.8
[M+HCOO]- 511.21848 218.3
[M+CH3COO]- 525.23413 232.9
[M+Na-2H]- 487.19495 198.8
[M]+ 466.21973 210.9
[M]- 466.22083 210.9
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.