CID 5276215

4-(1-adamantyl)cyclohexanamine

Structural Information

Molecular Formula
C16H27N
SMILES
C1CC(CCC1C23CC4CC(C2)CC(C4)C3)N
InChI
InChI=1S/C16H27N/c17-15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-15H,1-10,17H2
InChIKey
IZHPVHOLDAYTRS-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 154.2
[M+Na]+ 256.20358 153.4
[M-H]- 232.20708 150.9
[M+NH4]+ 251.24818 177.9
[M+K]+ 272.17752 148.8
[M+H-H2O]+ 216.21162 146.2
[M+HCOO]- 278.21256 157.8
[M+CH3COO]- 292.22821 161.0
[M+Na-2H]- 254.18903 161.4
[M]+ 233.21381 146.8
[M]- 233.21491 146.8
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.