CID 3782278

618383-46-3

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

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

InChI

InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)10-9(11(14)15)6-12-13-10/h2-6H,1H3,(H,12,13)(H,14,15)

InChIKey

YNHHGNUVCCLFDC-UHFFFAOYSA-N

Compound name

5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 6
Patents: 218.06914 Da
Monoisotopic Mass: 1.4
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]+	219.07642	147.2
[M+Na]+	241.05836	159.1
[M+NH4]+	236.10296	153.5
[M+K]+	257.03230	156.3
[M-H]-	217.06186	147.8
[M+Na-2H]-	239.04381	153.3
[M]+	218.06859	148.7
[M]-	218.06969	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe