CID 76457

3055-93-4

Structural Information

Molecular Formula

C₁₆H₃₄O₃

SMILES

CCCCCCCCCCCCOCCOCCO

InChI

InChI=1S/C16H34O3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15-16-19-14-12-17/h17H,2-16H2,1H3

InChIKey

AZLWQVJVINEILY-UHFFFAOYSA-N

Compound name

2-(2-dodecoxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5103
Patents: 274.2508 Da
Monoisotopic Mass: 4.9
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]+	275.25808	173.7
[M+Na]+	297.24002	176.3
[M-H]-	273.24352	170.6
[M+NH4]+	292.28462	189.4
[M+K]+	313.21396	173.9
[M+H-H2O]+	257.24806	167.1
[M+HCOO]-	319.24900	193.4
[M+CH3COO]-	333.26465	200.5
[M+Na-2H]-	295.22547	175.0
[M]+	274.25025	181.3
[M]-	274.25135	181.3

Literature stripe

literature stripe

Patent stripe

patents stripe