CID 23333405

Schembl299576

Structural Information

Molecular Formula

C₂₀H₄₀O₄

SMILES

C(CCCCCCCCC(=O)OCCO)CCCCCCCCO

InChI

InChI=1S/C20H40O4/c21-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-20(23)24-19-18-22/h21-22H,1-19H2

InChIKey

CCDSXJYFSFAUFA-UHFFFAOYSA-N

Compound name

2-hydroxyethyl 18-hydroxyoctadecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 532
Patents: 344.29266 Da
Monoisotopic Mass: 6.3
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]+	345.299936	193.8
[M+Na]+	367.281878	194.3
[M-H]-	343.285384	188.5
[M+NH4]+	362.326483	205.8
[M+K]+	383.255818	190.4
[M+H-H2O]+	327.289920	186.6
[M+HCOO]-	389.290861	210.1
[M+CH3COO]-	403.306511	211.0
[M+Na-2H]-	365.267326	191.2
[M]+	344.29211142	200.9
[M]-	344.29320858	200.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe