CID 3023602

Sodium isostearoyl-2-lactylate

Structural Information

Molecular Formula
C24H44O6
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O
InChI
InChI=1S/C24H44O6/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-22(25)29-21(4)24(28)30-20(3)23(26)27/h19-21H,5-18H2,1-4H3,(H,26,27)
InChIKey
STCSWZPJESBYAV-UHFFFAOYSA-N
Compound name
2-[2-(16-methylheptadecanoyloxy)propanoyloxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

722
Patents

428.31378 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.32106 212.5
[M+Na]+ 451.30300 220.6
[M-H]- 427.30650 208.8
[M+NH4]+ 446.34760 220.7
[M+K]+ 467.27694 218.5
[M+H-H2O]+ 411.31104 216.0
[M+HCOO]- 473.31198 212.9
[M+CH3COO]- 487.32763 230.8
[M+Na-2H]- 449.28845 203.6
[M]+ 428.31323 213.1
[M]- 428.31433 213.1
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