CID 589142

229015-76-3

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃

SMILES

CCOC(=O)C1=CC(=NN1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H14N2O3/c1-3-18-13(16)12-8-11(14-15-12)9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,15)

InChIKey

SDGZPPOLTPVBLP-UHFFFAOYSA-N

Compound name

ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 18
Patents: 246.10045 Da
Monoisotopic Mass: 2.4
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]+	247.10773	155.8
[M+Na]+	269.08967	167.9
[M+NH4]+	264.13427	162.1
[M+K]+	285.06361	164.2
[M-H]-	245.09317	156.8
[M+Na-2H]-	267.07512	162.0
[M]+	246.09990	157.5
[M]-	246.10100	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe