CID 146097194

1610093-13-4

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1C[C@H]2CC(C[C@@H]1N2)(C3=CN=CC=C3)O
InChI
InChI=1S/C12H16N2O/c15-12(9-2-1-5-13-8-9)6-10-3-4-11(7-12)14-10/h1-2,5,8,10-11,14-15H,3-4,6-7H2/t10-,11+,12?
InChIKey
PXQGMKCOEWJKCZ-FOSCPWQOSA-N
Compound name
(1S,5R)-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 146.7
[M+Na]+ 227.115488 153.0
[M-H]- 203.118994 146.9
[M+NH4]+ 222.160093 166.7
[M+K]+ 243.089428 148.3
[M+H-H2O]+ 187.123530 139.4
[M+HCOO]- 249.124471 161.0
[M+CH3COO]- 263.140121 157.3
[M+Na-2H]- 225.100936 152.4
[M]+ 204.12572142 140.4
[M]- 204.12681858 140.4
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.