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
3
Annotation Hits

0
References

722
Patents

484.3764 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.38368 227.5
[M+Na]+ 507.36562 234.5
[M-H]- 483.36912 220.8
[M+NH4]+ 502.41022 234.0
[M+K]+ 523.33956 233.4
[M+H-H2O]+ 467.37366 230.0
[M+HCOO]- 529.37460 228.6
[M+CH3COO]- 543.39025 241.3
[M+Na-2H]- 505.35107 216.1
[M]+ 484.37585 227.7
[M]- 484.37695 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