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

213
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 210.0
[M+Na]+ 419.31319 209.9
[M-H]- 395.31669 207.3
[M+NH4]+ 414.35779 215.1
[M+K]+ 435.28713 207.1
[M+H-H2O]+ 379.32123 202.4
[M+HCOO]- 441.32217 216.0
[M+CH3COO]- 455.33782 227.2
[M+Na-2H]- 417.29864 202.7
[M]+ 396.32342 219.0
[M]- 396.32452 219.0
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