CID 143210

Cyclohexane, 1-(cyclohexylmethyl)-2-methyl-, cis-

Structural Information

Molecular Formula

C₁₄H₂₆

SMILES

CC1CCCCC1CC2CCCCC2

InChI

InChI=1S/C14H26/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13/h12-14H,2-11H2,1H3

InChIKey

HJXAJTBTOWMAIA-UHFFFAOYSA-N

Compound name

1-(cyclohexylmethyl)-2-methylcyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 21
Patents: 194.20345 Da
Monoisotopic Mass: 6.5
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	149.7
[M+Na]+	217.19267	150.9
[M-H]-	193.19617	154.2
[M+NH4]+	212.23727	168.5
[M+K]+	233.16661	148.4
[M+H-H2O]+	177.20071	142.7
[M+HCOO]-	239.20165	165.3
[M+CH3COO]-	253.21730	185.4
[M+Na-2H]-	215.17812	150.9
[M]+	194.20290	140.4
[M]-	194.20400	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe