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
2
Annotation Hits

0
References

721
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 219.7
[M+Na]+ 451.30300 221.2
[M+NH4]+ 446.34760 223.8
[M+K]+ 467.27694 219.4
[M-H]- 427.30650 213.7
[M+Na-2H]- 449.28845 223.7
[M]+ 428.31323 218.3
[M]- 428.31433 218.3
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