CID 8079

Cyclohexene

Structural Information

Molecular Formula

C₆H₁₀

SMILES

C1CCC=CC1

InChI

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

InChIKey

HGCIXCUEYOPUTN-UHFFFAOYSA-N

Compound name

cyclohexene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 851
References: 65530
Patents: 82.07825 Da
Monoisotopic Mass: 2.9
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	114.1
[M+Na]+	105.06747	119.7
[M-H]-	81.070974	117.2
[M+NH4]+	100.11207	137.7
[M+K]+	121.04141	119.3
[M+H-H2O]+	65.075510	109.2
[M+HCOO]-	127.07645	136.8
[M+CH3COO]-	141.09210	162.1
[M+Na-2H]-	103.05292	122.8
[M]+	82.077701	109.7
[M]-	82.078799	109.7

Literature stripe

literature stripe

Patent stripe

patents stripe