CID 103847

Diisodecyl maleate

Structural Information

Molecular Formula
C24H44O4
SMILES
CC(C)CCCCCCCOC(=O)C=CC(=O)OCCCCCCCC(C)C
InChI
InChI=1S/C24H44O4/c1-21(2)15-11-7-5-9-13-19-27-23(25)17-18-24(26)28-20-14-10-6-8-12-16-22(3)4/h17-18,21-22H,5-16,19-20H2,1-4H3
InChIKey
WVUCNLQROBXNOX-UHFFFAOYSA-N
Compound name
bis(8-methylnonyl) but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

396.32397 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.33125 205.9
[M+Na]+ 419.31319 210.7
[M+NH4]+ 414.35779 216.2
[M+K]+ 435.28713 213.6
[M-H]- 395.31669 204.5
[M+Na-2H]- 417.29864 202.9
[M]+ 396.32342 204.9
[M]- 396.32452 204.9
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