CID 77596

Propynol ethoxylate

Structural Information

Molecular Formula

C₅H₈O₂

SMILES

C#CCOCCO

InChI

InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2

InChIKey

GHGCQQRMJCSIBQ-UHFFFAOYSA-N

Compound name

2-prop-2-ynoxyethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 438
Patents: 100.05243 Da
Monoisotopic Mass: -0.5
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]+	101.05971	117.5
[M+Na]+	123.04165	127.9
[M+NH4]+	118.08625	121.9
[M+K]+	139.01559	119.9
[M-H]-	99.045154	108.9
[M+Na-2H]-	121.02710	119.1
[M]+	100.05188	115.5
[M]-	100.05298	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe