CID 5276631

3-cyclohexyladamantan-1-amine

Structural Information

Molecular Formula
C16H27N
SMILES
C1CCC(CC1)C23CC4CC(C2)CC(C4)(C3)N
InChI
InChI=1S/C16H27N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h12-14H,1-11,17H2
InChIKey
WLPZAHQYMVQLHL-UHFFFAOYSA-N
Compound name
3-cyclohexyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

129
Patents

233.21436 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 155.7
[M+Na]+ 256.20358 155.3
[M-H]- 232.20708 152.4
[M+NH4]+ 251.24818 181.0
[M+K]+ 272.17752 150.4
[M+H-H2O]+ 216.21162 146.8
[M+HCOO]- 278.21256 159.2
[M+CH3COO]- 292.22821 162.4
[M+Na-2H]- 254.18903 163.9
[M]+ 233.21381 148.2
[M]- 233.21491 148.2
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