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
8
Annotation Hits

3806
References

52089
Patents

179.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.174676 146.5
[M+Na]+ 202.156618 150.9
[M-H]- 178.160124 142.1
[M+NH4]+ 197.201223 176.7
[M+K]+ 218.130558 146.8
[M+H-H2O]+ 162.164660 139.9
[M+HCOO]- 224.165601 154.0
[M+CH3COO]- 238.181251 155.9
[M+Na-2H]- 200.142066 158.3
[M]+ 179.16685142 145.0
[M]- 179.16794858 145.0
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