CID 526731

Diethylene glycol, decyl ether

Structural Information

Molecular Formula

C₁₄H₃₀O₃

SMILES

CCCCCCCCCCOCCOCCO

InChI

InChI=1S/C14H30O3/c1-2-3-4-5-6-7-8-9-11-16-13-14-17-12-10-15/h15H,2-14H2,1H3

InChIKey

UVNSFSOKRSZVEZ-UHFFFAOYSA-N

Compound name

2-(2-decoxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 245
Patents: 246.2195 Da
Monoisotopic Mass: 3.9
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]+	247.22678	164.8
[M+Na]+	269.20872	168.2
[M-H]-	245.21222	162.0
[M+NH4]+	264.25332	181.6
[M+K]+	285.18266	166.3
[M+H-H2O]+	229.21676	158.5
[M+HCOO]-	291.21770	185.1
[M+CH3COO]-	305.23335	194.5
[M+Na-2H]-	267.19417	167.1
[M]+	246.21895	171.6
[M]-	246.22005	171.6

Literature stripe

literature stripe

Patent stripe

patents stripe