CID 81095946

[(adamantan-2-yl)methyl](methyl)aminehydrochloride

Structural Information

Molecular Formula
C12H21N
SMILES
CNCC1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C12H21N/c1-13-7-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-13H,2-7H2,1H3
InChIKey
BUXVZXMFPYJBJA-UHFFFAOYSA-N
Compound name
1-(2-adamantyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.1674 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.17468 141.0
[M+Na]+ 202.15662 142.4
[M-H]- 178.16012 136.4
[M+NH4]+ 197.20122 166.0
[M+K]+ 218.13056 139.5
[M+H-H2O]+ 162.16466 135.6
[M+HCOO]- 224.16560 149.6
[M+CH3COO]- 238.18125 150.1
[M+Na-2H]- 200.14207 151.4
[M]+ 179.16685 139.7
[M]- 179.16795 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.