CID 4303686

Ceteth-2

Structural Information

Molecular Formula

C₂₀H₄₂O₃

SMILES

CCCCCCCCCCCCCCCCOCCOCCO

InChI

InChI=1S/C20H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-19-20-23-18-16-21/h21H,2-20H2,1H3

InChIKey

NMSBTWLFBGNKON-UHFFFAOYSA-N

Compound name

2-(2-hexadecoxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 3488
Patents: 330.3134 Da
Monoisotopic Mass: 7.1
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]+	331.320676	191.4
[M+Na]+	353.302618	192.2
[M-H]-	329.306124	187.4
[M+NH4]+	348.347223	204.8
[M+K]+	369.276558	188.9
[M+H-H2O]+	313.310660	184.0
[M+HCOO]-	375.311601	209.7
[M+CH3COO]-	389.327251	212.4
[M+Na-2H]-	351.288066	190.5
[M]+	330.31285142	200.5
[M]-	330.31394858	200.5

Literature stripe

literature stripe

Patent stripe

patents stripe