CID 64573

3-quinuclidinol, 2-((1-adamantylamino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H30N2O
SMILES
C1CN2CCC1C(C2CNC34CC5CC(C3)CC(C5)C4)O
InChI
InChI=1S/C18H30N2O/c21-17-15-1-3-20(4-2-15)16(17)11-19-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-17,19,21H,1-11H2
InChIKey
CSDBHUDLSHXCDR-UHFFFAOYSA-N
Compound name
2-[(1-adamantylamino)methyl]-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.2358 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.243076 159.2
[M+Na]+ 313.225018 153.7
[M-H]- 289.228524 147.4
[M+NH4]+ 308.269623 179.8
[M+K]+ 329.198958 148.7
[M+H-H2O]+ 273.233060 147.6
[M+HCOO]- 335.234001 151.1
[M+CH3COO]- 349.249651 161.0
[M+Na-2H]- 311.210466 168.6
[M]+ 290.23525142 154.7
[M]- 290.23634858 154.7
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.