CID 16205128

Sodium caproyl lactylate

Structural Information

Molecular Formula
C12H20O6
SMILES
CCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O
InChI
InChI=1S/C12H20O6/c1-4-5-6-7-10(13)17-9(3)12(16)18-8(2)11(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKey
DAZZOIFMRJXUJM-UHFFFAOYSA-N
Compound name
2-(2-hexanoyloxypropanoyloxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1813
Patents

260.12598 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13326 159.6
[M+Na]+ 283.11520 165.0
[M+NH4]+ 278.15980 162.7
[M+K]+ 299.08914 164.1
[M-H]- 259.11870 154.4
[M+Na-2H]- 281.10065 157.7
[M]+ 260.12543 158.2
[M]- 260.12653 158.2
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