CID 20838730

Dioleyl maleate

Structural Information

Molecular Formula
C40H72O4
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C40H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-43-39(41)35-36-40(42)44-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35-36H,3-16,21-34,37-38H2,1-2H3/b19-17-,20-18-,36-35-
InChIKey
KRFDIKFDEHAOAL-GSYQBMALSA-N
Compound name
bis[(Z)-octadec-9-enyl] (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

465
Patents

616.5431 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.55038 262.7
[M+Na]+ 639.53232 269.4
[M-H]- 615.53582 247.7
[M+NH4]+ 634.57692 265.5
[M+K]+ 655.50626 270.7
[M+H-H2O]+ 599.54036 263.0
[M+HCOO]- 661.54130 269.6
[M+CH3COO]- 675.55695 268.5
[M+Na-2H]- 637.51777 246.6
[M]+ 616.54255 262.6
[M]- 616.54365 262.6
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