CID 654018

116153-81-2

Structural Information

Molecular Formula

C₈H₆N₂O₃

SMILES

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

InChI

InChI=1S/C8H6N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12)

InChIKey

GKPSFQIKCROJOB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 95
Patents: 178.03784 Da
Monoisotopic Mass: 0.8
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]+	179.04512	133.9
[M+Na]+	201.02706	145.4
[M+NH4]+	196.07166	140.4
[M+K]+	217.00100	145.6
[M-H]-	177.03056	135.2
[M+Na-2H]-	199.01251	139.6
[M]+	178.03729	135.6
[M]-	178.03839	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe