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	144.3
[M+Na]+	227.07909	157.6
[M+NH4]+	222.12369	151.9
[M+K]+	243.05303	153.2
[M-H]-	203.08259	146.4
[M+Na-2H]-	225.06454	152.0
[M]+	204.08932	146.7
[M]-	204.09042	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe