CID 5276637

Chembl1213379

Structural Information

Molecular Formula
C15H27N
SMILES
CCCCC12CC3CC(C1)CC(C3)(C2)NC
InChI
InChI=1S/C15H27N/c1-3-4-5-14-7-12-6-13(8-14)10-15(9-12,11-14)16-2/h12-13,16H,3-11H2,1-2H3
InChIKey
PTJZYMGQONNYKV-UHFFFAOYSA-N
Compound name
3-butyl-N-methyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

221.21436 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.221636 157.3
[M+Na]+ 244.203578 158.9
[M-H]- 220.207084 152.3
[M+NH4]+ 239.248183 184.1
[M+K]+ 260.177518 154.8
[M+H-H2O]+ 204.211620 150.3
[M+HCOO]- 266.212561 164.5
[M+CH3COO]- 280.228211 165.3
[M+Na-2H]- 242.189026 167.8
[M]+ 221.21381142 157.0
[M]- 221.21490858 157.0
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

No patent data available for this compound.