CID 33024

25505-97-9

Structural Information

Molecular Formula
C8H9N3O2
SMILES
CC1=C2C(=NN(C(=O)C2=NO1)C)C
InChI
InChI=1S/C8H9N3O2/c1-4-6-5(2)13-10-7(6)8(12)11(3)9-4/h1-3H3
InChIKey
GWVOLGIOVUXWAJ-UHFFFAOYSA-N
Compound name
3,4,6-trimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06947 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.076746 133.7
[M+Na]+ 202.058688 148.2
[M-H]- 178.062194 136.8
[M+NH4]+ 197.103293 152.6
[M+K]+ 218.032628 146.5
[M+H-H2O]+ 162.066730 126.9
[M+HCOO]- 224.067671 156.4
[M+CH3COO]- 238.083321 181.7
[M+Na-2H]- 200.044136 141.5
[M]+ 179.06892142 140.2
[M]- 179.07001858 140.2
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.