CID 23324969

(but-3-yn-1-yl)cyclopropane

Structural Information

Molecular Formula

C₇H₁₀

SMILES

C#CCCC1CC1

InChI

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

InChIKey

HDBTYEOXYHHGQL-UHFFFAOYSA-N

Compound name

but-3-ynylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
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	114.1
[M+Na]+	117.067468	129.4
[M-H]-	93.070974	119.6
[M+NH4]+	112.112073	132.6
[M+K]+	133.041408	124.1
[M+H-H2O]+	77.075510	105.6
[M+HCOO]-	139.076451	134.4
[M+CH3COO]-	153.092101	180.3
[M+Na-2H]-	115.052916	122.8
[M]+	94.07770142	112.9
[M]-	94.07879858	112.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe