CID 10851

Trilaurin

Structural Information

Molecular Formula
C39H74O6
SMILES
CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3
InChIKey
VMPHSYLJUKZBJJ-UHFFFAOYSA-N
Compound name
2,3-di(dodecanoyloxy)propyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

66
References

42932
Patents

638.5485 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.55578 268.1
[M+Na]+ 661.53772 273.7
[M-H]- 637.54122 256.2
[M+NH4]+ 656.58232 275.0
[M+K]+ 677.51166 276.4
[M+H-H2O]+ 621.54576 269.9
[M+HCOO]- 683.54670 268.9
[M+CH3COO]- 697.56235 272.7
[M+Na-2H]- 659.52317 251.9
[M]+ 638.54795 269.1
[M]- 638.54905 269.1
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