CID 43141385

1-methyl-3-(5-methylfuran-2-yl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₃

SMILES

CC1=CC=C(O1)C2=NN(C=C2C(=O)O)C

InChI

InChI=1S/C10H10N2O3/c1-6-3-4-8(15-6)9-7(10(13)14)5-12(2)11-9/h3-5H,1-2H3,(H,13,14)

InChIKey

YXFKJEJXEHTSRI-UHFFFAOYSA-N

Compound name

1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.06914 Da
Monoisotopic Mass: 0.9
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]+	207.076416	140.5
[M+Na]+	229.058358	151.8
[M-H]-	205.061864	145.8
[M+NH4]+	224.102963	158.9
[M+K]+	245.032298	150.6
[M+H-H2O]+	189.066400	134.2
[M+HCOO]-	251.067341	164.0
[M+CH3COO]-	265.082991	182.5
[M+Na-2H]-	227.043806	143.5
[M]+	206.06859142	145.2
[M]-	206.06968858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.