CID 165758765

1-ethynyl-1-(methoxymethyl)cyclobutane

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

COCC1(CCC1)C#C

InChI

InChI=1S/C8H12O/c1-3-8(7-9-2)5-4-6-8/h1H,4-7H2,2H3

InChIKey

SUQGGCGZCFPUKO-UHFFFAOYSA-N

Compound name

1-ethynyl-1-(methoxymethyl)cyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 124.08881 Da
Monoisotopic Mass: 1.5
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]+	125.09609	123.9
[M+Na]+	147.07803	130.9
[M+NH4]+	142.12263	127.1
[M+K]+	163.05197	122.5
[M-H]-	123.08153	115.4
[M+Na-2H]-	145.06348	126.0
[M]+	124.08826	120.8
[M]-	124.08936	120.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe