CID 14849120

Dioctyldodecyl sebacate

Structural Information

Molecular Formula
C50H98O4
SMILES
CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC
InChI
InChI=1S/C50H98O4/c1-5-9-13-17-21-23-29-35-41-47(39-33-27-19-15-11-7-3)45-53-49(51)43-37-31-25-26-32-38-44-50(52)54-46-48(40-34-28-20-16-12-8-4)42-36-30-24-22-18-14-10-6-2/h47-48H,5-46H2,1-4H3
InChIKey
VOKLGPGMRNGCOO-UHFFFAOYSA-N
Compound name
bis(2-octyldodecyl) decanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

762.7465 Da
Monoisotopic Mass

22.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 763.75378 304.5
[M+Na]+ 785.73572 303.8
[M+NH4]+ 780.78032 305.8
[M+K]+ 801.70966 306.1
[M-H]- 761.73922 285.6
[M+Na-2H]- 783.72117 299.1
[M]+ 762.74595 299.9
[M]- 762.74705 299.9
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