CID 73714

Methylenecyclopentane

Structural Information

Molecular Formula

C₆H₁₀

SMILES

C=C1CCCC1

InChI

InChI=1S/C6H10/c1-6-4-2-3-5-6/h1-5H2

InChIKey

NFJPEKRRHIYYES-UHFFFAOYSA-N

Compound name

methylidenecyclopentane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 3825
Patents: 82.07825 Da
Monoisotopic Mass: 2.1
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]+	83.085526	115.6
[M+Na]+	105.067468	122.4
[M-H]-	81.070974	118.8
[M+NH4]+	100.112073	141.1
[M+K]+	121.041408	121.5
[M+H-H2O]+	65.075510	111.1
[M+HCOO]-	127.076451	139.0
[M+CH3COO]-	141.092101	162.4
[M+Na-2H]-	103.052916	121.1
[M]+	82.07770142	111.4
[M]-	82.07879858	111.4

Literature stripe

literature stripe

Patent stripe

patents stripe