CID 642218

1-benzyl-1h-pyrazol-4-ol

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)O

InChI

InChI=1S/C10H10N2O/c13-10-6-11-12(8-10)7-9-4-2-1-3-5-9/h1-6,8,13H,7H2

InChIKey

BELUNASLYMZLPW-UHFFFAOYSA-N

Compound name

1-benzylpyrazol-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 174.07932 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]+	175.08660	136.6
[M+Na]+	197.06854	150.3
[M+NH4]+	192.11314	145.0
[M+K]+	213.04248	145.3
[M-H]-	173.07204	139.2
[M+Na-2H]-	195.05399	145.3
[M]+	174.07877	139.2
[M]-	174.07987	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe