CID 10121860

Diisostearyl maleate

Structural Information

Molecular Formula
C40H76O4
SMILES
CC(C)CCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C40H76O4/c1-37(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-35-43-39(41)33-34-40(42)44-36-30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(3)4/h33-34,37-38H,5-32,35-36H2,1-4H3/b34-33-
InChIKey
UNZOESWLBMZBEY-YHZPTAEISA-N
Compound name
bis(16-methylheptadecyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2644
Patents

620.57434 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.58162 269.8
[M+Na]+ 643.56356 270.4
[M+NH4]+ 638.60816 271.4
[M+K]+ 659.53750 270.7
[M-H]- 619.56706 254.9
[M+Na-2H]- 641.54901 267.9
[M]+ 620.57379 266.1
[M]- 620.57489 266.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe