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]+ 184.06360 136.9
[M+Na]+ 206.04554 146.7
[M-H]- 182.04904 136.8
[M+NH4]+ 201.09014 154.8
[M+K]+ 222.01948 142.5
[M+H-H2O]+ 166.05358 129.1
[M+HCOO]- 228.05452 149.9
[M+CH3COO]- 242.07017 149.2
[M+Na-2H]- 204.03099 144.8
[M]+ 183.05577 136.3
[M]- 183.05687 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.