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

34
Patents

336.1573 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.164576 181.7
[M+Na]+ 359.146518 187.2
[M-H]- 335.150024 191.8
[M+NH4]+ 354.191123 182.9
[M+K]+ 375.120458 187.1
[M+H-H2O]+ 319.154560 174.5
[M+HCOO]- 381.155501 195.9
[M+CH3COO]- 395.171151 217.7
[M+Na-2H]- 357.131966 180.4
[M]+ 336.15675142 190.2
[M]- 336.15784858 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