CID 37098

Cetyl lactate

Structural Information

Molecular Formula

C₁₉H₃₈O₃

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)O

InChI

InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19(21)18(2)20/h18,20H,3-17H2,1-2H3

InChIKey

WUKXMJCZWYUIRZ-UHFFFAOYSA-N

Compound name

hexadecyl 2-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 11716
Patents: 314.2821 Da
Monoisotopic Mass: 7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.28938	184.5
[M+Na]+	337.27132	190.8
[M+NH4]+	332.31592	189.1
[M+K]+	353.24526	184.2
[M-H]-	313.27482	181.8
[M+Na-2H]-	335.25677	183.4
[M]+	314.28155	184.2
[M]-	314.28265	184.2

Literature stripe

literature stripe

Patent stripe

patents stripe