CID 111927

Propylene glycol diisostearate

Structural Information

Molecular Formula
C39H76O4
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C39H76O4/c1-35(2)30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(40)42-34-37(5)43-39(41)33-29-25-21-17-13-9-7-11-15-19-23-27-31-36(3)4/h35-37H,6-34H2,1-5H3
InChIKey
OATHWIHWTWDNLJ-UHFFFAOYSA-N
Compound name
2-(16-methylheptadecanoyloxy)propyl 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1479
Patents

608.57434 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.58162 269.5
[M+Na]+ 631.56356 269.7
[M+NH4]+ 626.60816 271.9
[M+K]+ 647.53750 269.9
[M-H]- 607.56706 255.3
[M+Na-2H]- 629.54901 267.8
[M]+ 608.57379 266.0
[M]- 608.57489 266.0
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