CID 133412

80200-09-5

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)O

InChI

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

InChIKey

SLCYYEKQDZIXOZ-UHFFFAOYSA-N

Compound name

4-(pyrazol-1-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 174.07932 Da
Monoisotopic Mass: 1.4
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

literature stripe

Patent stripe

patents stripe