CID 8078

Cyclohexane

Structural Information

Molecular Formula

C₆H₁₂

SMILES

C1CCCCC1

InChI

InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

InChIKey

XDTMQSROBMDMFD-UHFFFAOYSA-N

Compound name

cyclohexane

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 3634
References: 311785
Patents: 84.0939 Da
Monoisotopic Mass: 3.4
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]+	85.101176	116.4
[M+Na]+	107.083118	120.9
[M-H]-	83.086624	119.1
[M+NH4]+	102.127723	139.8
[M+K]+	123.057058	120.8
[M+H-H2O]+	67.091160	111.4
[M+HCOO]-	129.092101	137.6
[M+CH3COO]-	143.107751	162.5
[M+Na-2H]-	105.068566	124.0
[M]+	84.09335142	110.5
[M]-	84.09444858	110.5

Literature stripe

literature stripe

Patent stripe

patents stripe