CID 91501293

Refchem:432674

Structural Information

Molecular Formula

SMILES

COC1(CC1)C#C

InChI

InChI=1S/C6H8O/c1-3-6(7-2)4-5-6/h1H,4-5H2,2H3

InChIKey

BBQJMAFFEIERNK-UHFFFAOYSA-N

Compound name

1-ethynyl-1-methoxycyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 96.05752 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]+	97.064796	115.0
[M+Na]+	119.04674	131.6
[M-H]-	95.050244	121.2
[M+NH4]+	114.09134	135.3
[M+K]+	135.02068	126.9
[M+H-H2O]+	79.054780	107.8
[M+HCOO]-	141.05572	135.6
[M+CH3COO]-	155.07137	179.0
[M+Na-2H]-	117.03219	124.9
[M]+	96.056971	115.3
[M]-	96.058069	115.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe