CID 114078

Dipropylene glycol dinonanoate

Structural Information

Molecular Formula
C24H46O5
SMILES
CCCCCCCCC(=O)OCCCOCCCOC(=O)CCCCCCCC
InChI
InChI=1S/C24H46O5/c1-3-5-7-9-11-13-17-23(25)28-21-15-19-27-20-16-22-29-24(26)18-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
QNQFILNCKAALEB-UHFFFAOYSA-N
Compound name
3-(3-nonanoyloxypropoxy)propyl nonanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

414.33453 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.34181 209.7
[M+Na]+ 437.32375 220.4
[M+NH4]+ 432.36835 220.1
[M+K]+ 453.29769 218.1
[M-H]- 413.32725 206.7
[M+Na-2H]- 435.30920 207.0
[M]+ 414.33398 215.7
[M]- 414.33508 215.7
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