CID 605366

2649070-00-6

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

COC1=CC=C(C=C1)C2=NNC(=O)C2

InChI

InChI=1S/C10H10N2O2/c1-14-8-4-2-7(3-5-8)9-6-10(13)12-11-9/h2-5H,6H2,1H3,(H,12,13)

InChIKey

QOOURZOOVQWRCB-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 190.07423 Da
Monoisotopic Mass: 1.2
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]+	191.08151	140.6
[M+Na]+	213.06345	153.3
[M+NH4]+	208.10805	148.1
[M+K]+	229.03739	149.2
[M-H]-	189.06695	142.3
[M+Na-2H]-	211.04890	147.6
[M]+	190.07368	142.7
[M]-	190.07478	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe