CID 41201

54823-98-2

Structural Information

Molecular Formula

C₁₄H₂₆

SMILES

CC1CCC(CC1)C2CCC(CC2)C

InChI

InChI=1S/C14H26/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3

InChIKey

CGJFYDPGFFFGHA-UHFFFAOYSA-N

Compound name

1-methyl-4-(4-methylcyclohexyl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1214
Patents: 194.20345 Da
Monoisotopic Mass: 6.2
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]+	195.21073	149.2
[M+Na]+	217.19267	151.5
[M-H]-	193.19617	154.1
[M+NH4]+	212.23727	168.4
[M+K]+	233.16661	149.0
[M+H-H2O]+	177.20071	142.5
[M+HCOO]-	239.20165	164.9
[M+CH3COO]-	253.21730	186.5
[M+Na-2H]-	215.17812	149.8
[M]+	194.20290	140.3
[M]-	194.20400	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe