CID 33979

Glyceryl dilaurate

Structural Information

Molecular Formula
C27H52O5
SMILES
CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C27H52O5/c1-3-5-7-9-11-13-15-17-19-21-26(29)31-24-25(23-28)32-27(30)22-20-18-16-14-12-10-8-6-4-2/h25,28H,3-24H2,1-2H3
InChIKey
OQQOAWVKVDAJOI-UHFFFAOYSA-N
Compound name
(2-dodecanoyloxy-3-hydroxypropyl) dodecanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

12
References

12632
Patents

456.38147 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.38875 224.9
[M+Na]+ 479.37069 230.9
[M-H]- 455.37419 214.1
[M+NH4]+ 474.41529 227.0
[M+K]+ 495.34463 228.8
[M+H-H2O]+ 439.37873 218.4
[M+HCOO]- 501.37967 230.2
[M+CH3COO]- 515.39532 235.8
[M+Na-2H]- 477.35614 212.4
[M]+ 456.38092 224.9
[M]- 456.38202 224.9
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