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]+ 373.258476 196.8
[M+Na]+ 395.240418 197.4
[M-H]- 371.243924 194.6
[M+NH4]+ 390.285023 205.0
[M+K]+ 411.214358 196.5
[M+H-H2O]+ 355.248460 189.8
[M+HCOO]- 417.249401 202.6
[M+CH3COO]- 431.265051 218.5
[M+Na-2H]- 393.225866 190.2
[M]+ 372.25065142 204.7
[M]- 372.25174858 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

literature stripe

Patent stripe

patents stripe