CID 117536506

4-(propan-2-yl)pyridazine-3,6-diol

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC(C)C1=CC(=O)NNC1=O

InChI

InChI=1S/C7H10N2O2/c1-4(2)5-3-6(10)8-9-7(5)11/h3-4H,1-2H3,(H,8,10)(H,9,11)

InChIKey

SNBJJRQDOILAAT-UHFFFAOYSA-N

Compound name

4-propan-2-yl-1,2-dihydropyridazine-3,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 154.07423 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]+	155.08151	130.6
[M+Na]+	177.06345	142.9
[M+NH4]+	172.10805	136.9
[M+K]+	193.03739	138.4
[M-H]-	153.06695	129.6
[M+Na-2H]-	175.04890	135.6
[M]+	154.07368	131.7
[M]-	154.07478	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe