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]+ 222.22164 157.3
[M+Na]+ 244.20358 158.9
[M-H]- 220.20708 152.3
[M+NH4]+ 239.24818 184.1
[M+K]+ 260.17752 154.8
[M+H-H2O]+ 204.21162 150.3
[M+HCOO]- 266.21256 164.5
[M+CH3COO]- 280.22821 165.3
[M+Na-2H]- 242.18903 167.8
[M]+ 221.21381 157.0
[M]- 221.21491 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.