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: 155
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	135.2
[M+Na]+	197.06854	144.0
[M-H]-	173.07204	138.3
[M+NH4]+	192.11314	153.8
[M+K]+	213.04248	140.7
[M+H-H2O]+	157.07658	127.5
[M+HCOO]-	219.07752	157.9
[M+CH3COO]-	233.09317	148.6
[M+Na-2H]-	195.05399	141.7
[M]+	174.07877	134.6
[M]-	174.07987	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe