CID 10534621

4-ethynylcyclopent-1-ene

Structural Information

Molecular Formula

C₇H₈

SMILES

C#CC1CC=CC1

InChI

InChI=1S/C7H8/c1-2-7-5-3-4-6-7/h1,3-4,7H,5-6H2

InChIKey

BXTLKPBQDHKLOW-UHFFFAOYSA-N

Compound name

4-ethynylcyclopentene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 92.0626 Da
Monoisotopic Mass: 1.7
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]+	93.069876	118.6
[M+Na]+	115.051818	128.9
[M-H]-	91.055324	120.9
[M+NH4]+	110.096423	141.2
[M+K]+	131.025758	125.4
[M+H-H2O]+	75.059860	107.8
[M+HCOO]-	137.060801	137.4
[M+CH3COO]-	151.076451	174.3
[M+Na-2H]-	113.037266	124.0
[M]+	92.06205142	111.5
[M]-	92.06314858	111.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.