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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.07675	134.4
[M+Na]+	202.05869	149.8
[M+NH4]+	197.10329	141.9
[M+K]+	218.03263	146.4
[M-H]-	178.06219	136.0
[M+Na-2H]-	200.04414	140.0
[M]+	179.06892	137.1
[M]-	179.07002	137.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.