CID 19756016

Glyceryl 2-lactate 1,3-palmitate

Structural Information

Molecular Formula
C38H72O7
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(C)O
InChI
InChI=1S/C38H72O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36(40)43-32-35(45-38(42)34(3)39)33-44-37(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34-35,39H,4-33H2,1-3H3
InChIKey
DIQIFCKMXBRTBD-UHFFFAOYSA-N
Compound name
[3-hexadecanoyloxy-2-(2-hydroxypropanoyloxy)propyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

481
Patents

640.52783 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.535106 266.0
[M+Na]+ 663.517048 270.8
[M-H]- 639.520554 256.2
[M+NH4]+ 658.561653 273.0
[M+K]+ 679.490988 273.6
[M+H-H2O]+ 623.525090 267.5
[M+HCOO]- 685.526031 263.1
[M+CH3COO]- 699.541681 270.0
[M+Na-2H]- 661.502496 249.7
[M]+ 640.52728142 266.2
[M]- 640.52837858 266.2
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