CID 90585

Einecs 246-414-7

Structural Information

Molecular Formula
C17H24O6
SMILES
CC(=C)C(=O)OCC(C)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChI
InChI=1S/C17H24O6/c1-11(2)14(18)21-8-17(7,9-22-15(19)12(3)4)10-23-16(20)13(5)6/h1,3,5,8-10H2,2,4,6-7H3
InChIKey
SWHLOXLFJPTYTL-UHFFFAOYSA-N
Compound name
[2-methyl-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9095
Patents

324.1573 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16458 172.7
[M+Na]+ 347.14652 176.4
[M-H]- 323.15002 172.0
[M+NH4]+ 342.19112 190.0
[M+K]+ 363.12046 176.4
[M+H-H2O]+ 307.15456 167.7
[M+HCOO]- 369.15550 185.1
[M+CH3COO]- 383.17115 210.2
[M+Na-2H]- 345.13197 168.9
[M]+ 324.15675 178.4
[M]- 324.15785 178.4
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