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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 140.5
[M+Na]+ 229.05836 151.8
[M-H]- 205.06186 145.8
[M+NH4]+ 224.10296 158.9
[M+K]+ 245.03230 150.6
[M+H-H2O]+ 189.06640 134.2
[M+HCOO]- 251.06734 164.0
[M+CH3COO]- 265.08299 182.5
[M+Na-2H]- 227.04381 143.5
[M]+ 206.06859 145.2
[M]- 206.06969 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.