CID 9951058

Lauroyl lactylate

Structural Information

Molecular Formula
C18H32O6
SMILES
CCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O
InChI
InChI=1S/C18H32O6/c1-4-5-6-7-8-9-10-11-12-13-16(19)23-15(3)18(22)24-14(2)17(20)21/h14-15H,4-13H2,1-3H3,(H,20,21)
InChIKey
AOHBGMDQHXJADT-UHFFFAOYSA-N
Compound name
2-(2-dodecanoyloxypropanoyloxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3966
Patents

344.21988 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.22716 187.6
[M+Na]+ 367.20910 189.1
[M-H]- 343.21260 184.6
[M+NH4]+ 362.25370 197.6
[M+K]+ 383.18304 188.7
[M+H-H2O]+ 327.21714 181.0
[M+HCOO]- 389.21808 196.0
[M+CH3COO]- 403.23373 212.7
[M+Na-2H]- 365.19455 182.1
[M]+ 344.21933 194.8
[M]- 344.22043 194.8
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