CID 24888466

1-(3-methoxyphenyl)-1h-pyrazole

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

COC1=CC=CC(=C1)N2C=CC=N2

InChI

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

InChIKey

ZRJXNTPMSNGZAW-UHFFFAOYSA-N

Compound name

1-(3-methoxyphenyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 174.07932 Da
Monoisotopic Mass: 2.2
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	136.1
[M+Na]+	197.06854	150.3
[M+NH4]+	192.11314	144.9
[M+K]+	213.04248	145.0
[M-H]-	173.07204	139.2
[M+Na-2H]-	195.05399	145.4
[M]+	174.07877	139.0
[M]-	174.07987	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe