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

74
Patents

218.20345 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.