CID 22038

Stearoyl-2-lactylate

Structural Information

Molecular Formula
C24H44O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O
InChI
InChI=1S/C24H44O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27/h20-21H,4-19H2,1-3H3,(H,26,27)
InChIKey
KHICUSAUSRBPJT-UHFFFAOYSA-N
Compound name
2-(2-octadecanoyloxypropanoyloxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

32
References

22930
Patents

428.31378 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.32106 213.1
[M+Na]+ 451.30300 220.7
[M-H]- 427.30650 207.8
[M+NH4]+ 446.34760 219.6
[M+K]+ 467.27694 218.0
[M+H-H2O]+ 411.31104 207.1
[M+HCOO]- 473.31198 215.7
[M+CH3COO]- 487.32763 230.0
[M+Na-2H]- 449.28845 203.4
[M]+ 428.31323 213.5
[M]- 428.31433 213.5
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

No patent data available for this compound.