CID 16063802

Dodecanoic acid, 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl ester

Structural Information

Molecular Formula

C₂₀H₄₀O₆

SMILES

CCCCCCCCCCCC(=O)OCCOCCOCCOCCO

InChI

InChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-20(22)26-19-18-25-17-16-24-15-14-23-13-12-21/h21H,2-19H2,1H3

InChIKey

DYQXMFHEZICODL-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl dodecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 143
Patents: 376.2825 Da
Monoisotopic Mass: 4.1
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]+	377.289776	197.8
[M+Na]+	399.271718	198.5
[M-H]-	375.275224	193.9
[M+NH4]+	394.316323	204.3
[M+K]+	415.245658	196.7
[M+H-H2O]+	359.279760	189.9
[M+HCOO]-	421.280701	216.6
[M+CH3COO]-	435.296351	217.3
[M+Na-2H]-	397.257166	196.1
[M]+	376.28195142	209.8
[M]-	376.28304858	209.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe