CID 512343

Chembl326069

Structural Information

Molecular Formula
C15H25N
SMILES
C1CCC(C1)(C23CC4CC(C2)CC(C4)C3)N
InChI
InChI=1S/C15H25N/c16-15(3-1-2-4-15)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,1-10,16H2
InChIKey
JHVOJYUPDOQKIQ-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

219.1987 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.20598 151.4
[M+Na]+ 242.18792 152.7
[M-H]- 218.19142 148.8
[M+NH4]+ 237.23252 179.4
[M+K]+ 258.16186 147.4
[M+H-H2O]+ 202.19596 144.0
[M+HCOO]- 264.19690 157.6
[M+CH3COO]- 278.21255 159.5
[M+Na-2H]- 240.17337 158.6
[M]+ 219.19815 145.9
[M]- 219.19925 145.9
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