CID 2759320

3-(2-hydroxy-5-methylphenyl)pyrazole

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CC1=CC(=C(C=C1)O)C2=CC=NN2

InChI

InChI=1S/C10H10N2O/c1-7-2-3-10(13)8(6-7)9-4-5-11-12-9/h2-6,13H,1H3,(H,11,12)

InChIKey

KFOTULBCYDISHU-UHFFFAOYSA-N

Compound name

4-methyl-2-(1H-pyrazol-5-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 174.07932 Da
Monoisotopic Mass: 1.9
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	135.9
[M+Na]+	197.06854	145.2
[M-H]-	173.07204	138.0
[M+NH4]+	192.11314	154.1
[M+K]+	213.04248	140.9
[M+H-H2O]+	157.07658	128.7
[M+HCOO]-	219.07752	157.0
[M+CH3COO]-	233.09317	148.9
[M+Na-2H]-	195.05399	141.1
[M]+	174.07877	133.9
[M]-	174.07987	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe