CID 3010114

N-cyclohexyladamantan-1-amine

Structural Information

Molecular Formula
C16H27N
SMILES
C1CCC(CC1)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H27N/c1-2-4-15(5-3-1)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15,17H,1-11H2
InChIKey
WZMKHTOKIUFRJS-UHFFFAOYSA-N
Compound name
N-cyclohexyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

233.21436 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 151.5
[M+Na]+ 256.20358 149.7
[M-H]- 232.20708 148.3
[M+NH4]+ 251.24818 175.1
[M+K]+ 272.17752 145.4
[M+H-H2O]+ 216.21162 143.1
[M+HCOO]- 278.21256 155.8
[M+CH3COO]- 292.22821 158.3
[M+Na-2H]- 254.18903 160.3
[M]+ 233.21381 144.6
[M]- 233.21491 144.6
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