CID 54517091

(prop-2-yn-1-yl)cyclobutane

Structural Information

Molecular Formula

C₇H₁₀

SMILES

C#CCC1CCC1

InChI

InChI=1S/C7H10/c1-2-4-7-5-3-6-7/h1,7H,3-6H2

InChIKey

HDUAEOWIMMICMU-UHFFFAOYSA-N

Compound name

prop-2-ynylcyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 74
Patents: 94.07825 Da
Monoisotopic Mass: 2.5
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]+	95.085526	111.0
[M+Na]+	117.06747	119.2
[M-H]-	93.070974	113.7
[M+NH4]+	112.11207	126.5
[M+K]+	133.04141	120.9
[M+H-H2O]+	77.075510	96.9
[M+HCOO]-	139.07645	128.0
[M+CH3COO]-	153.09210	179.8
[M+Na-2H]-	115.05292	117.8
[M]+	94.077701	112.4
[M]-	94.078799	112.4

Literature stripe

literature stripe

Patent stripe

patents stripe