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

22823
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

literature stripe

Patent stripe

patents stripe