CID 79001945

4-(1-methyl-1h-pyrazol-4-yl)phenol

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CN1C=C(C=N1)C2=CC=C(C=C2)O

InChI

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

InChIKey

RRBHMAJENUAYKG-UHFFFAOYSA-N

Compound name

4-(1-methylpyrazol-4-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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	136.4
[M+Na]+	197.06854	150.5
[M+NH4]+	192.11314	144.9
[M+K]+	213.04248	145.7
[M-H]-	173.07204	139.1
[M+Na-2H]-	195.05399	144.9
[M]+	174.07877	139.1
[M]-	174.07987	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe