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
4
Annotation Hits

0
References

883
Patents

428.31378 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.321056 212.5
[M+Na]+ 451.302998 220.6
[M-H]- 427.306504 208.8
[M+NH4]+ 446.347603 220.7
[M+K]+ 467.276938 218.5
[M+H-H2O]+ 411.311040 216.0
[M+HCOO]- 473.311981 212.9
[M+CH3COO]- 487.327631 230.8
[M+Na-2H]- 449.288446 203.6
[M]+ 428.31323142 213.1
[M]- 428.31432858 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