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
1
Annotation Hits

0
References

624
Patents

640.52783 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.53511 266.0
[M+Na]+ 663.51705 270.8
[M-H]- 639.52055 256.2
[M+NH4]+ 658.56165 273.0
[M+K]+ 679.49099 273.6
[M+H-H2O]+ 623.52509 267.5
[M+HCOO]- 685.52603 263.1
[M+CH3COO]- 699.54168 270.0
[M+Na-2H]- 661.50250 249.7
[M]+ 640.52728 266.2
[M]- 640.52838 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