CID 98609

6089-04-9

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C#CCOC1CCCCO1

InChI

InChI=1S/C8H12O2/c1-2-6-9-8-5-3-4-7-10-8/h1,8H,3-7H2

InChIKey

HQAXHIGPGBPPFU-UHFFFAOYSA-N

Compound name

2-prop-2-ynoxyoxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1619
Patents: 140.08372 Da
Monoisotopic Mass: 1.1
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]+	141.09100	131.0
[M+Na]+	163.07294	141.9
[M+NH4]+	158.11754	136.2
[M+K]+	179.04688	133.1
[M-H]-	139.07644	125.9
[M+Na-2H]-	161.05839	133.1
[M]+	140.08317	130.2
[M]-	140.08427	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe