CID 12901081

1-(4-methoxyphenyl)-1h-pyrazol-4-ol

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

COC1=CC=C(C=C1)N2C=C(C=N2)O

InChI

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

InChIKey

WUVRRXUFBQLQTK-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)pyrazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 190.07423 Da
Monoisotopic Mass: 1.5
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]+	191.08151	138.2
[M+Na]+	213.06345	147.9
[M-H]-	189.06695	141.8
[M+NH4]+	208.10805	156.4
[M+K]+	229.03739	145.0
[M+H-H2O]+	173.07149	130.6
[M+HCOO]-	235.07243	161.1
[M+CH3COO]-	249.08808	179.0
[M+Na-2H]-	211.04890	144.0
[M]+	190.07368	139.5
[M]-	190.07478	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe