CID 54551753

78352-82-6

Structural Information

Molecular Formula
C28H46O6
SMILES
CC(=CCCC=C(C)CCCCCCC(=O)OCC1CO1)CCCCCCC(=O)OCC2CO2
InChI
InChI=1S/C28H46O6/c1-23(13-7-3-5-9-17-27(29)33-21-25-19-31-25)15-11-12-16-24(2)14-8-4-6-10-18-28(30)34-22-26-20-32-26/h15-16,25-26H,3-14,17-22H2,1-2H3
InChIKey
ZKJRKMNGNXUJNS-UHFFFAOYSA-N
Compound name
bis(oxiran-2-ylmethyl) 8,13-dimethylicosa-8,12-dienedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

478.32944 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.33672 219.2
[M+Na]+ 501.31866 219.6
[M-H]- 477.32216 224.6
[M+NH4]+ 496.36326 215.4
[M+K]+ 517.29260 217.2
[M+H-H2O]+ 461.32670 210.7
[M+HCOO]- 523.32764 230.7
[M+CH3COO]- 537.34329 241.4
[M+Na-2H]- 499.30411 213.3
[M]+ 478.32889 232.7
[M]- 478.32999 232.7
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