CID 136725

Cyclopentylacetylene

Structural Information

Molecular Formula

C₇H₁₀

SMILES

C#CC1CCCC1

InChI

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

InChIKey

TXVJSWLZYQMWPC-UHFFFAOYSA-N

Compound name

ethynylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1575
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	119.6
[M+Na]+	117.06747	129.0
[M-H]-	93.070974	121.6
[M+NH4]+	112.11207	142.0
[M+K]+	133.04141	125.6
[M+H-H2O]+	77.075510	108.8
[M+HCOO]-	139.07645	137.1
[M+CH3COO]-	153.09210	174.7
[M+Na-2H]-	115.05292	124.1
[M]+	94.077701	111.2
[M]-	94.078799	111.2

Literature stripe

literature stripe

Patent stripe

patents stripe