CID 120055

Diisodecyl succinate

Structural Information

Molecular Formula
C24H46O4
SMILES
CC(C)CCCCCCCOC(=O)CCC(=O)OCCCCCCCC(C)C
InChI
InChI=1S/C24H46O4/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/h21-22H,5-20H2,1-4H3
InChIKey
BQSLMFSQEBXZHN-UHFFFAOYSA-N
Compound name
bis(8-methylnonyl) butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1740
Patents

398.3396 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.34688 206.7
[M+Na]+ 421.32882 211.5
[M+NH4]+ 416.37342 219.1
[M+K]+ 437.30276 216.0
[M-H]- 397.33232 206.6
[M+Na-2H]- 419.31427 203.8
[M]+ 398.33905 205.8
[M]- 398.34015 205.8
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