CID 58079716

89635-82-5

Structural Information

Molecular Formula

C₁₀H₁₈O₄

SMILES

COCCOCCOCCOCC#C

InChI

InChI=1S/C10H18O4/c1-3-4-12-7-8-14-10-9-13-6-5-11-2/h1H,4-10H2,2H3

InChIKey

TYHJQPGPBRVOJZ-UHFFFAOYSA-N

Compound name

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]prop-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 202.12051 Da
Monoisotopic Mass: -0.2
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]+	203.12779	142.2
[M+Na]+	225.10973	151.3
[M+NH4]+	220.15433	145.1
[M+K]+	241.08367	142.9
[M-H]-	201.11323	132.9
[M+Na-2H]-	223.09518	142.2
[M]+	202.11996	139.7
[M]-	202.12106	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe