CID 135502832

Hms1669g13

Structural Information

Molecular Formula
C9H11N3O
SMILES
CC1=C2C=NN(C(=O)C2=C(N1)C)C
InChI
InChI=1S/C9H11N3O/c1-5-7-4-10-12(3)9(13)8(7)6(2)11-5/h4,11H,1-3H3
InChIKey
BAJNXTBBZPQOMC-UHFFFAOYSA-N
Compound name
3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

177.09021 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.097486 135.9
[M+Na]+ 200.079428 149.5
[M-H]- 176.082934 136.9
[M+NH4]+ 195.124033 155.5
[M+K]+ 216.053368 145.2
[M+H-H2O]+ 160.087470 129.3
[M+HCOO]- 222.088411 157.5
[M+CH3COO]- 236.104061 180.0
[M+Na-2H]- 198.064876 142.2
[M]+ 177.08966142 138.9
[M]- 177.09075858 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

literature stripe

Patent stripe

No patent data available for this compound.