CID 63764470

8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol dihydrochloride

Structural Information

Molecular Formula
C9H18N2O
SMILES
C1CC2CC(CC1N2CCN)O
InChI
InChI=1S/C9H18N2O/c10-3-4-11-7-1-2-8(11)6-9(12)5-7/h7-9,12H,1-6,10H2
InChIKey
IBLJPEZTIBZZFX-UHFFFAOYSA-N
Compound name
8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.1419 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 138.8
[M+Na]+ 193.13112 144.3
[M-H]- 169.13462 137.8
[M+NH4]+ 188.17572 160.3
[M+K]+ 209.10506 141.7
[M+H-H2O]+ 153.13916 133.2
[M+HCOO]- 215.14010 155.7
[M+CH3COO]- 229.15575 180.0
[M+Na-2H]- 191.11657 142.2
[M]+ 170.14135 133.5
[M]- 170.14245 133.5
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.