CID 42281964

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

Structural Information

Molecular Formula
C9H8N2O3
SMILES
CN1C=C(C(=N1)C2=CC=CO2)C(=O)O
InChI
InChI=1S/C9H8N2O3/c1-11-5-6(9(12)13)8(10-11)7-3-2-4-14-7/h2-5H,1H3,(H,12,13)
InChIKey
OZEWXBCUZMIVAQ-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0535 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 136.1
[M+Na]+ 215.04272 146.9
[M-H]- 191.04622 141.1
[M+NH4]+ 210.08732 154.6
[M+K]+ 231.01666 146.0
[M+H-H2O]+ 175.05076 129.5
[M+HCOO]- 237.05170 159.9
[M+CH3COO]- 251.06735 178.3
[M+Na-2H]- 213.02817 140.3
[M]+ 192.05295 139.9
[M]- 192.05405 139.9
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.