CID 3017331

62304-85-2

Structural Information

Molecular Formula

C₂₂H₄₄O₅

SMILES

CCCCCCCCCCCCCCCC(=O)OCCOCCOCCO

InChI

InChI=1S/C22H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-20-26-19-18-25-17-16-23/h23H,2-21H2,1H3

InChIKey

KDXRKUWZYUGWKJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 388.31888 Da
Monoisotopic Mass: 6.5
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]+	389.326156	204.6
[M+Na]+	411.308098	204.6
[M-H]-	387.311604	200.4
[M+NH4]+	406.352703	208.4
[M+K]+	427.282038	201.7
[M+H-H2O]+	371.316140	196.6
[M+HCOO]-	433.317081	220.7
[M+CH3COO]-	447.332731	221.2
[M+Na-2H]-	409.293546	201.7
[M]+	388.31833142	215.9
[M]-	388.31942858	215.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe