CID 15525654

2h,4h,6h-furo[3,4-c]pyrazol-6-one

Structural Information

Molecular Formula

C₅H₄N₂O₂

SMILES

C1C2=C(C(=O)O1)NN=C2

InChI

InChI=1S/C5H4N2O2/c8-5-4-3(2-9-5)1-6-7-4/h1H,2H2,(H,6,7)

InChIKey

PHNPUYVDCUKBCL-UHFFFAOYSA-N

Compound name

1,4-dihydrofuro[3,4-d]pyrazol-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 124.027275 Da
Monoisotopic Mass: 0.0
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]+	125.034551	119.6
[M+Na]+	147.016493	129.7
[M-H]-	123.019999	121.3
[M+NH4]+	142.061098	141.8
[M+K]+	162.990433	129.2
[M+H-H2O]+	107.024535	114.1
[M+HCOO]-	169.025476	141.0
[M+CH3COO]-	183.041126	134.3
[M+Na-2H]-	145.001941	126.4
[M]+	124.02672642	119.3
[M]-	124.02782358	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe