CID 651228

909092-64-4

Structural Information

Molecular Formula

C₉H₈N₂O₃

SMILES

CC1=CC=C(O1)C2=CC(=NN2)C(=O)O

InChI

InChI=1S/C9H8N2O3/c1-5-2-3-8(14-5)6-4-7(9(12)13)11-10-6/h2-4H,1H3,(H,10,11)(H,12,13)

InChIKey

GOUUZIMECSCUHZ-UHFFFAOYSA-N

Compound name

5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 192.0535 Da
Monoisotopic Mass: 1.2
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]+	193.06078	138.3
[M+Na]+	215.04272	149.9
[M+NH4]+	210.08732	144.6
[M+K]+	231.01666	150.1
[M-H]-	191.04622	139.6
[M+Na-2H]-	213.02817	143.5
[M]+	192.05295	140.0
[M]-	192.05405	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe