CID 18801454

3-(2,5-dimethoxyphenyl)-1h-pyrazole

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

COC1=CC(=C(C=C1)OC)C2=CC=NN2

InChI

InChI=1S/C11H12N2O2/c1-14-8-3-4-11(15-2)9(7-8)10-5-6-12-13-10/h3-7H,1-2H3,(H,12,13)

InChIKey

JEFGLUGSZPRTEJ-UHFFFAOYSA-N

Compound name

5-(2,5-dimethoxyphenyl)-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 204.08987 Da
Monoisotopic Mass: 1.8
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]+	205.09715	142.8
[M+Na]+	227.07909	152.0
[M-H]-	203.08259	146.2
[M+NH4]+	222.12369	160.5
[M+K]+	243.05303	149.0
[M+H-H2O]+	187.08713	135.0
[M+HCOO]-	249.08807	165.4
[M+CH3COO]-	263.10372	182.0
[M+Na-2H]-	225.06454	148.1
[M]+	204.08932	144.4
[M]-	204.09042	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe