CID 10198008

Dp-2

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)CO

InChI

InChI=1S/C10H10N2O2/c13-7-8-6-10(14)12(11-8)9-4-2-1-3-5-9/h1-5,13H,6-7H2

InChIKey

QIMPUUHZJZDPCA-UHFFFAOYSA-N

Compound name

5-(hydroxymethyl)-2-phenyl-4H-pyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 190.07423 Da
Monoisotopic Mass: 0.6
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	139.0
[M+Na]+	213.06345	147.9
[M-H]-	189.06695	142.2
[M+NH4]+	208.10805	157.0
[M+K]+	229.03739	144.7
[M+H-H2O]+	173.07149	131.4
[M+HCOO]-	235.07243	160.6
[M+CH3COO]-	249.08808	178.5
[M+Na-2H]-	211.04890	143.7
[M]+	190.07368	138.1
[M]-	190.07478	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe