CID 54489487

Myristoyl lactylic acid

Structural Information

Molecular Formula
C20H36O6
SMILES
CCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O
InChI
InChI=1S/C20H36O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(21)25-17(3)20(24)26-16(2)19(22)23/h16-17H,4-15H2,1-3H3,(H,22,23)
InChIKey
XUSFLPZBXNHFHE-UHFFFAOYSA-N
Compound name
2-(2-tetradecanoyloxypropanoyloxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

134
Patents

372.2512 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.25848 196.8
[M+Na]+ 395.24042 197.4
[M-H]- 371.24392 194.6
[M+NH4]+ 390.28502 205.0
[M+K]+ 411.21436 196.5
[M+H-H2O]+ 355.24846 189.8
[M+HCOO]- 417.24940 202.6
[M+CH3COO]- 431.26505 218.5
[M+Na-2H]- 393.22587 190.2
[M]+ 372.25065 204.7
[M]- 372.25175 204.7
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

No patent data available for this compound.