CID 119968

Diisodecyl sebacate

Structural Information

Molecular Formula
C30H58O4
SMILES
CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C
InChI
InChI=1S/C30H58O4/c1-27(2)21-15-9-7-13-19-25-33-29(31)23-17-11-5-6-12-18-24-30(32)34-26-20-14-8-10-16-22-28(3)4/h27-28H,5-26H2,1-4H3
InChIKey
OAXZVLMNNOOMGN-UHFFFAOYSA-N
Compound name
bis(8-methylnonyl) decanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1027
Patents

482.4335 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.44078 238.1
[M+Na]+ 505.42272 239.1
[M+NH4]+ 500.46732 240.0
[M+K]+ 521.39666 237.6
[M-H]- 481.42622 225.7
[M+Na-2H]- 503.40817 239.0
[M]+ 482.43295 234.8
[M]- 482.43405 234.8
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