CID 62783672

1342382-46-0

Structural Information

Molecular Formula
C8H10ClN3
SMILES
CN1CCC2=NN=C(C=C2C1)Cl
InChI
InChI=1S/C8H10ClN3/c1-12-3-2-7-6(5-12)4-8(9)11-10-7/h4H,2-3,5H2,1H3
InChIKey
VQHJNKZJJQLGKM-UHFFFAOYSA-N
Compound name
3-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05632 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.063596 136.9
[M+Na]+ 206.045538 146.7
[M-H]- 182.049044 136.8
[M+NH4]+ 201.090143 154.8
[M+K]+ 222.019478 142.5
[M+H-H2O]+ 166.053580 129.1
[M+HCOO]- 228.054521 149.9
[M+CH3COO]- 242.070171 149.2
[M+Na-2H]- 204.030986 144.8
[M]+ 183.05577142 136.3
[M]- 183.05686858 136.3
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.