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: 11194
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	115.0
[M+Na]+	105.06747	126.7
[M+NH4]+	100.11207	125.4
[M+K]+	121.04141	121.7
[M-H]-	81.070974	117.5
[M+Na-2H]-	103.05292	121.8
[M]+	82.077701	117.3
[M]-	82.078799	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe