CID 2723692

19327-38-9

Structural Information

Molecular Formula

C₁₄H₃₀O₄

SMILES

CCCCCCCCOCCOCCOCCO

InChI

InChI=1S/C14H30O4/c1-2-3-4-5-6-7-9-16-11-13-18-14-12-17-10-8-15/h15H,2-14H2,1H3

InChIKey

XIVLVYLYOMHUGB-UHFFFAOYSA-N

Compound name

2-[2-(2-octoxyethoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 825
Patents: 262.21442 Da
Monoisotopic Mass: 2.6
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]+	263.221696	167.2
[M+Na]+	285.203638	170.5
[M-H]-	261.207144	164.4
[M+NH4]+	280.248243	183.3
[M+K]+	301.177578	169.2
[M+H-H2O]+	245.211680	160.7
[M+HCOO]-	307.212621	187.8
[M+CH3COO]-	321.228271	196.5
[M+Na-2H]-	283.189086	169.6
[M]+	262.21387142	175.5
[M]-	262.21496858	175.5

Literature stripe

literature stripe

Patent stripe

patents stripe