CID 20201

2-hydroxyethyl palmitate

Structural Information

Molecular Formula

C₁₈H₃₆O₃

SMILES

CCCCCCCCCCCCCCCC(=O)OCCO

InChI

InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19/h19H,2-17H2,1H3

InChIKey

BXCRLBBIZJSWNS-UHFFFAOYSA-N

Compound name

2-hydroxyethyl hexadecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 3272
Patents: 300.26645 Da
Monoisotopic Mass: 6.8
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]+	301.27373	180.0
[M+Na]+	323.25567	186.9
[M+NH4]+	318.30027	184.9
[M+K]+	339.22961	179.7
[M-H]-	299.25917	177.6
[M+Na-2H]-	321.24112	179.5
[M]+	300.26590	179.9
[M]-	300.26700	179.9

Literature stripe

literature stripe

Patent stripe

patents stripe