CID 91805671

1-ethynyl-1-methoxycyclobutane

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

COC1(CCC1)C#C

InChI

InChI=1S/C7H10O/c1-3-7(8-2)5-4-6-7/h1H,4-6H2,2H3

InChIKey

PWZJWTKVMXPROY-UHFFFAOYSA-N

Compound name

1-ethynyl-1-methoxycyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 110.073166 Da
Monoisotopic Mass: 0.9
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]+	111.08044	119.9
[M+Na]+	133.06238	127.1
[M+NH4]+	128.10699	123.3
[M+K]+	149.03632	118.9
[M-H]-	109.06589	111.4
[M+Na-2H]-	131.04783	122.3
[M]+	110.07262	116.8
[M]-	110.07371	116.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe