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]+ 219.210726 151.0
[M+Na]+ 241.192668 150.0
[M-H]- 217.196174 148.2
[M+NH4]+ 236.237273 175.5
[M+K]+ 257.166608 145.5
[M+H-H2O]+ 201.200710 142.5
[M+HCOO]- 263.201651 154.3
[M+CH3COO]- 277.217301 158.2
[M+Na-2H]- 239.178116 158.9
[M]+ 218.20290142 144.5
[M]- 218.20399858 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

literature stripe

Patent stripe

patents stripe