CID 21722232

140226-35-3

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CN1C(=CC=N1)C2=CC=CC=C2OC

InChI

InChI=1S/C11H12N2O/c1-13-10(7-8-12-13)9-5-3-4-6-11(9)14-2/h3-8H,1-2H3

InChIKey

KIKUUOOIRZMZAJ-UHFFFAOYSA-N

Compound name

5-(2-methoxyphenyl)-1-methylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 188.09496 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]+	189.10224	139.1
[M+Na]+	211.08418	148.9
[M-H]-	187.08768	143.8
[M+NH4]+	206.12878	158.2
[M+K]+	227.05812	146.2
[M+H-H2O]+	171.09222	131.2
[M+HCOO]-	233.09316	163.0
[M+CH3COO]-	247.10881	182.6
[M+Na-2H]-	209.06963	144.8
[M]+	188.09441	141.2
[M]-	188.09551	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe