CID 3015324

Myreth-3

Structural Information

Molecular Formula

C₂₀H₄₂O₄

SMILES

CCCCCCCCCCCCCCOCCOCCOCCO

InChI

InChI=1S/C20H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-22-17-19-24-20-18-23-16-14-21/h21H,2-20H2,1H3

InChIKey

NBPXCCCUFZBDQE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 842
Patents: 346.30832 Da
Monoisotopic Mass: 5.9
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]+	347.31560	193.8
[M+Na]+	369.29754	194.5
[M-H]-	345.30104	189.8
[M+NH4]+	364.34214	206.4
[M+K]+	385.27148	191.7
[M+H-H2O]+	329.30558	186.1
[M+HCOO]-	391.30652	212.3
[M+CH3COO]-	405.32217	214.2
[M+Na-2H]-	367.28299	193.0
[M]+	346.30777	204.3
[M]-	346.30887	204.3

Literature stripe

literature stripe

Patent stripe

patents stripe