CID 5414

19327-39-0

Structural Information

Molecular Formula

C₁₆H₃₄O₅

SMILES

CCCCCCCCOCCOCCOCCOCCO

InChI

InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3

InChIKey

FEOZZFHAVXYAMB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 286
Patents: 306.24063 Da
Monoisotopic Mass: 2.5
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]+	307.247906	178.3
[M+Na]+	329.229848	180.6
[M-H]-	305.233354	175.0
[M+NH4]+	324.274453	192.5
[M+K]+	345.203788	179.4
[M+H-H2O]+	289.237890	171.1
[M+HCOO]-	351.238831	198.4
[M+CH3COO]-	365.254481	204.3
[M+Na-2H]-	327.215296	179.7
[M]+	306.24008142	188.8
[M]-	306.24117858	188.8

Literature stripe

literature stripe

Patent stripe

patents stripe