CID 3770255

1-cyclohexyladamantane

Structural Information

Molecular Formula

C₁₆H₂₆

SMILES

C1CCC(CC1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H26/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15H,1-11H2

InChIKey

CQGHTYOKYHAPCM-UHFFFAOYSA-N

Compound name

1-cyclohexyladamantane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 218.20345 Da
Monoisotopic Mass: 6.4
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]+	219.21073	151.0
[M+Na]+	241.19267	150.0
[M-H]-	217.19617	148.2
[M+NH4]+	236.23727	175.5
[M+K]+	257.16661	145.5
[M+H-H2O]+	201.20071	142.5
[M+HCOO]-	263.20165	154.3
[M+CH3COO]-	277.21730	158.2
[M+Na-2H]-	239.17812	158.9
[M]+	218.20290	144.5
[M]-	218.20400	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe