CID 5276633

3,5-dicyclohexyladamantan-1-amine

Structural Information

Molecular Formula
C22H37N
SMILES
C1CCC(CC1)C23CC4CC(C2)(CC(C4)(C3)N)C5CCCCC5
InChI
InChI=1S/C22H37N/c23-22-13-17-11-20(15-22,18-7-3-1-4-8-18)14-21(12-17,16-22)19-9-5-2-6-10-19/h17-19H,1-16,23H2
InChIKey
OCNRWOKQFKXZGR-UHFFFAOYSA-N
Compound name
3,5-dicyclohexyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

106
Patents

315.2926 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.29988 176.1
[M+Na]+ 338.28182 172.9
[M-H]- 314.28532 173.9
[M+NH4]+ 333.32642 198.8
[M+K]+ 354.25576 166.5
[M+H-H2O]+ 298.28986 163.3
[M+HCOO]- 360.29080 174.5
[M+CH3COO]- 374.30645 179.9
[M+Na-2H]- 336.26727 180.6
[M]+ 315.29205 164.0
[M]- 315.29315 164.0
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

patents stripe