CID 605366

3-(4-methoxyphenyl)-4,5-dihydro-1h-pyrazol-5-one hydrochloride

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]+	191.081506	139.0
[M+Na]+	213.063448	147.9
[M-H]-	189.066954	142.2
[M+NH4]+	208.108053	157.0
[M+K]+	229.037388	144.7
[M+H-H2O]+	173.071490	131.4
[M+HCOO]-	235.072431	160.6
[M+CH3COO]-	249.088081	178.5
[M+Na-2H]-	211.048896	143.7
[M]+	190.07368142	138.1
[M]-	190.07477858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe