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]+ 180.07675 133.7
[M+Na]+ 202.05869 148.2
[M-H]- 178.06219 136.8
[M+NH4]+ 197.10329 152.6
[M+K]+ 218.03263 146.5
[M+H-H2O]+ 162.06673 126.9
[M+HCOO]- 224.06767 156.4
[M+CH3COO]- 238.08332 181.7
[M+Na-2H]- 200.04414 141.5
[M]+ 179.06892 140.2
[M]- 179.07002 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.