CID 131633375

Glycidyl sorbate dimer

Structural Information

Molecular Formula
C18H24O6
SMILES
C/C=C/C1C(C=CC(C1C(=O)OCC2CO2)C(=O)OCC3CO3)C
InChI
InChI=1S/C18H24O6/c1-3-4-14-11(2)5-6-15(17(19)23-9-12-7-21-12)16(14)18(20)24-10-13-8-22-13/h3-6,11-16H,7-10H2,1-2H3/b4-3+
InChIKey
XHTDCGVGUHWAJM-ONEGZZNKSA-N
Compound name
bis(oxiran-2-ylmethyl) 5-methyl-6-[(E)-prop-1-enyl]cyclohex-3-ene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

336.1573 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16458 181.7
[M+Na]+ 359.14652 187.2
[M-H]- 335.15002 191.8
[M+NH4]+ 354.19112 182.9
[M+K]+ 375.12046 187.1
[M+H-H2O]+ 319.15456 174.5
[M+HCOO]- 381.15550 195.9
[M+CH3COO]- 395.17115 217.7
[M+Na-2H]- 357.13197 180.4
[M]+ 336.15675 190.2
[M]- 336.15785 190.2
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