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
(1R,5S)-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]+ 205.13355 146.7
[M+Na]+ 227.11549 153.0
[M-H]- 203.11899 146.9
[M+NH4]+ 222.16009 166.7
[M+K]+ 243.08943 148.3
[M+H-H2O]+ 187.12353 139.4
[M+HCOO]- 249.12447 161.0
[M+CH3COO]- 263.14012 157.3
[M+Na-2H]- 225.10094 152.4
[M]+ 204.12572 140.4
[M]- 204.12682 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.