CID 13257545

1-chloro-5,6,7-trimethyl-6h-pyrrolo[3,4-d]pyridazine hydrochloride

Structural Information

Molecular Formula
C9H10ClN3
SMILES
CC1=C2C=NN=C(C2=C(N1C)C)Cl
InChI
InChI=1S/C9H10ClN3/c1-5-7-4-11-12-9(10)8(7)6(2)13(5)3/h4H,1-3H3
InChIKey
RIVWEUYBKRJSIF-UHFFFAOYSA-N
Compound name
4-chloro-5,6,7-trimethylpyrrolo[3,4-d]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

195.05632 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.063596 139.0
[M+Na]+ 218.045538 153.4
[M-H]- 194.049044 140.8
[M+NH4]+ 213.090143 159.4
[M+K]+ 234.019478 148.5
[M+H-H2O]+ 178.053580 132.3
[M+HCOO]- 240.054521 156.9
[M+CH3COO]- 254.070171 153.6
[M+Na-2H]- 216.030986 145.1
[M]+ 195.05577142 144.7
[M]- 195.05686858 144.7
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