CID 4054

Memantine

Structural Information

Molecular Formula
C12H21N
SMILES
CC12CC3CC(C1)(CC(C3)(C2)N)C
InChI
InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3
InChIKey
BUGYDGFZZOZRHP-UHFFFAOYSA-N
Compound name
3,5-dimethyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2877
References

52075
Patents

179.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.17468 146.5
[M+Na]+ 202.15662 155.3
[M+NH4]+ 197.20122 162.7
[M+K]+ 218.13056 142.0
[M-H]- 178.16012 145.8
[M+Na-2H]- 200.14207 146.8
[M]+ 179.16685 148.0
[M]- 179.16795 148.0
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

patents stripe