CID 7094

Bicyclohexyl

Structural Information

Molecular Formula

C₁₂H₂₂

SMILES

C1CCC(CC1)C2CCCCC2

InChI

InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2

InChIKey

WVIIMZNLDWSIRH-UHFFFAOYSA-N

Compound name

cyclohexylcyclohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 32
References: 28993
Patents: 166.17215 Da
Monoisotopic Mass: 5.7
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]+	167.17943	141.0
[M+Na]+	189.16137	142.1
[M-H]-	165.16487	145.5
[M+NH4]+	184.20597	160.6
[M+K]+	205.13531	140.1
[M+H-H2O]+	149.16941	134.1
[M+HCOO]-	211.17035	157.3
[M+CH3COO]-	225.18600	178.3
[M+Na-2H]-	187.14682	143.9
[M]+	166.17160	130.6
[M]-	166.17270	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe