CID 605360

485317-15-5

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

COC1=CC=CC=C1C2=CC(=O)NN2

InChI

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

InChIKey

RAIREIYMNYIWBY-UHFFFAOYSA-N

Compound name

5-(2-methoxyphenyl)-1,2-dihydropyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 190.07423 Da
Monoisotopic Mass: 1.3
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	140.0
[M+Na]+	213.06345	153.0
[M+NH4]+	208.10805	147.2
[M+K]+	229.03739	149.0
[M-H]-	189.06695	141.4
[M+Na-2H]-	211.04890	147.2
[M]+	190.07368	142.0
[M]-	190.07478	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe