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
3
Annotation Hits

0
References

2806
Patents

440.38657 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.393846 224.6
[M+Na]+ 463.375788 230.6
[M-H]- 439.379294 212.0
[M+NH4]+ 458.420393 226.8
[M+K]+ 479.349728 219.6
[M+H-H2O]+ 423.383830 216.1
[M+HCOO]- 485.384771 230.0
[M+CH3COO]- 499.400421 236.5
[M+Na-2H]- 461.361236 217.0
[M]+ 440.38602142 224.5
[M]- 440.38711858 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