CID 118116

33907-46-9

Structural Information

Molecular Formula

C₂₀H₄₀O₄

SMILES

CCCCCCCCCCCCCCCCC(C(=O)OC(C)O)O

InChI

InChI=1S/C20H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20(23)24-18(2)21/h18-19,21-22H,3-17H2,1-2H3

InChIKey

VZURHXVELPKQNZ-UHFFFAOYSA-N

Compound name

1-hydroxyethyl 2-hydroxyoctadecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 267
Patents: 344.29266 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]+	345.29994	195.5
[M+Na]+	367.28188	195.6
[M-H]-	343.28538	190.4
[M+NH4]+	362.32648	207.4
[M+K]+	383.25582	192.8
[M+H-H2O]+	327.28992	188.5
[M+HCOO]-	389.29086	209.8
[M+CH3COO]-	403.30651	212.6
[M+Na-2H]-	365.26733	190.3
[M]+	344.29211	201.3
[M]-	344.29321	201.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe