CID 6424187

3-(furan-2-yl)-1h-pyrazol-5-ol

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

C1=COC(=C1)C2=CC(=O)NN2

InChI

InChI=1S/C7H6N2O2/c10-7-4-5(8-9-7)6-2-1-3-11-6/h1-4H,(H2,8,9,10)

InChIKey

JUGKNVFOSHLNDB-UHFFFAOYSA-N

Compound name

5-(furan-2-yl)-1,2-dihydropyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 150.04292 Da
Monoisotopic Mass: 0.5
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]+	151.05020	126.5
[M+Na]+	173.03214	139.0
[M+NH4]+	168.07674	133.8
[M+K]+	189.00608	138.0
[M-H]-	149.03564	128.5
[M+Na-2H]-	171.01759	133.2
[M]+	150.04237	128.6
[M]-	150.04347	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe