CID 13257548

5,6,7-trimethyl-1h,2h,6h-pyrrolo[3,4-d]pyridazin-1-one

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC1=C2C=NNC(=O)C2=C(N1C)C
InChI
InChI=1S/C9H11N3O/c1-5-7-4-10-11-9(13)8(7)6(2)12(5)3/h4H,1-3H3,(H,11,13)
InChIKey
YHMCEAGPNVSJHN-UHFFFAOYSA-N
Compound name
5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 135.9
[M+Na]+ 200.07943 149.5
[M-H]- 176.08293 136.9
[M+NH4]+ 195.12403 155.5
[M+K]+ 216.05337 145.2
[M+H-H2O]+ 160.08747 129.3
[M+HCOO]- 222.08841 157.5
[M+CH3COO]- 236.10406 180.0
[M+Na-2H]- 198.06488 142.2
[M]+ 177.08966 138.9
[M]- 177.09076 138.9
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.