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]+ 291.24308 159.2
[M+Na]+ 313.22502 153.7
[M-H]- 289.22852 147.4
[M+NH4]+ 308.26962 179.8
[M+K]+ 329.19896 148.7
[M+H-H2O]+ 273.23306 147.6
[M+HCOO]- 335.23400 151.1
[M+CH3COO]- 349.24965 161.0
[M+Na-2H]- 311.21047 168.6
[M]+ 290.23525 154.7
[M]- 290.23635 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.