CID 12746

1-methylcyclopentene

Structural Information

Molecular Formula

C₆H₁₀

SMILES

CC1=CCCC1

InChI

InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3

InChIKey

ATQUFXWBVZUTKO-UHFFFAOYSA-N

Compound name

1-methylcyclopentene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 15449
Patents: 82.07825 Da
Monoisotopic Mass: 1.8
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	114.5
[M+Na]+	105.067468	122.0
[M-H]-	81.070974	118.1
[M+NH4]+	100.112073	140.2
[M+K]+	121.041408	121.6
[M+H-H2O]+	65.075510	109.9
[M+HCOO]-	127.076451	139.3
[M+CH3COO]-	141.092101	163.0
[M+Na-2H]-	103.052916	121.1
[M]+	82.07770142	112.5
[M]-	82.07879858	112.5

Literature stripe

literature stripe

Patent stripe

patents stripe