CID 90838

Propylene glycol dilaurate

Structural Information

Molecular Formula
C27H52O4
SMILES
CCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C27H52O4/c1-4-6-8-10-12-14-16-18-20-22-26(28)30-24-25(3)31-27(29)23-21-19-17-15-13-11-9-7-5-2/h25H,4-24H2,1-3H3
InChIKey
WITKSCOBOCOGSC-UHFFFAOYSA-N
Compound name
2-dodecanoyloxypropyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2571
Patents

440.38657 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.39385 224.6
[M+Na]+ 463.37579 230.6
[M-H]- 439.37929 212.0
[M+NH4]+ 458.42039 226.8
[M+K]+ 479.34973 219.6
[M+H-H2O]+ 423.38383 216.1
[M+HCOO]- 485.38477 230.0
[M+CH3COO]- 499.40042 236.5
[M+Na-2H]- 461.36124 217.0
[M]+ 440.38602 224.5
[M]- 440.38712 224.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe