CID 86035203

Dtxsid601025095

Structural Information

Molecular Formula

C₂₂H₄₄O₆

SMILES

CCCCCCCCCCCCCC(=O)OCCOCCOCCOCCO

InChI

InChI=1S/C22H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(24)28-21-20-27-19-18-26-17-16-25-15-14-23/h23H,2-21H2,1H3

InChIKey

FEROEQVZBFYCBK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 404.31378 Da
Monoisotopic Mass: 5.2
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]+	405.321056	206.5
[M+Na]+	427.302998	206.3
[M-H]-	403.306504	200.0
[M+NH4]+	422.347603	211.7
[M+K]+	443.276938	204.1
[M+H-H2O]+	387.311040	198.2
[M+HCOO]-	449.311981	223.3
[M+CH3COO]-	463.327631	223.1
[M+Na-2H]-	425.288446	203.8
[M]+	404.31323142	219.2
[M]-	404.31432858	219.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe