CID 54122230

Sodium behenoyl lactylate

Structural Information

Molecular Formula
C28H52O6
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O
InChI
InChI=1S/C28H52O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)33-25(3)28(32)34-24(2)27(30)31/h24-25H,4-23H2,1-3H3,(H,30,31)
InChIKey
NOMYCLLWQUDRMT-UHFFFAOYSA-N
Compound name
2-(2-docosanoyloxypropanoyloxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

660
Patents

484.3764 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.383676 227.5
[M+Na]+ 507.365618 234.5
[M-H]- 483.369124 220.8
[M+NH4]+ 502.410223 234.0
[M+K]+ 523.339558 233.4
[M+H-H2O]+ 467.373660 230.0
[M+HCOO]- 529.374601 228.6
[M+CH3COO]- 543.390251 241.3
[M+Na-2H]- 505.351066 216.1
[M]+ 484.37585142 227.7
[M]- 484.37694858 227.7
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