CID 53791974

Methyl 3-chloro-5h,6h,7h,8h-pyrido[4,3-c]pyridazine-6-carboxylate

Structural Information

Molecular Formula
C9H10ClN3O2
SMILES
COC(=O)N1CCC2=NN=C(C=C2C1)Cl
InChI
InChI=1S/C9H10ClN3O2/c1-15-9(14)13-3-2-7-6(5-13)4-8(10)12-11-7/h4H,2-3,5H2,1H3
InChIKey
FCMAEEWDOKAVHX-UHFFFAOYSA-N
Compound name
methyl 3-chloro-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.04616 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05344 145.9
[M+Na]+ 250.03538 155.3
[M-H]- 226.03888 146.1
[M+NH4]+ 245.07998 162.0
[M+K]+ 266.00932 151.8
[M+H-H2O]+ 210.04342 138.1
[M+HCOO]- 272.04436 158.4
[M+CH3COO]- 286.06001 186.5
[M+Na-2H]- 248.02083 152.3
[M]+ 227.04561 147.3
[M]- 227.04671 147.3
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

patents stripe