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
(1R,5S)-3-(6-chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
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

literature stripe

Patent stripe

patents stripe