CID 6603824

Dbo-83

Structural Information

Molecular Formula
C10H13ClN4
SMILES
C1C[C@H]2CN(C[C@@H]1N2)C3=NN=C(C=C3)Cl
InChI
InChI=1S/C10H13ClN4/c11-9-3-4-10(14-13-9)15-5-7-1-2-8(6-15)12-7/h3-4,7-8,12H,1-2,5-6H2/t7-,8+
InChIKey
USXYDBGSWSSTGE-OCAPTIKFSA-N
Compound name
(1S,5R)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

19
Patents

224.08287 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09015 149.9
[M+Na]+ 247.07209 158.0
[M-H]- 223.07559 148.4
[M+NH4]+ 242.11669 165.9
[M+K]+ 263.04603 152.2
[M+H-H2O]+ 207.08013 140.6
[M+HCOO]- 269.08107 158.5
[M+CH3COO]- 283.09672 159.9
[M+Na-2H]- 245.05754 154.2
[M]+ 224.08232 146.1
[M]- 224.08342 146.1
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.