CID 27538

15911-16-7

Structural Information

Molecular Formula

C₇H₇N₃O₂

SMILES

CC1=C2C(=NNC(=O)C2=NO1)C

InChI

InChI=1S/C7H7N3O2/c1-3-5-4(2)12-10-6(5)7(11)9-8-3/h1-2H3,(H,9,11)

InChIKey

DINKYECDKUZHJM-UHFFFAOYSA-N

Compound name

3,4-dimethyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 0
Patents: 165.05383 Da
Monoisotopic Mass: 0.2
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]+	166.06111	130.3
[M+Na]+	188.04305	145.0
[M+NH4]+	183.08765	137.5
[M+K]+	204.01699	141.9
[M-H]-	164.04655	131.4
[M+Na-2H]-	186.02850	135.8
[M]+	165.05328	132.6
[M]-	165.05438	132.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.