CID 39870608

3-(furan-3-yl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1=COC=C1C2=NNC(=C2)C(=O)O
InChI
InChI=1S/C8H6N2O3/c11-8(12)7-3-6(9-10-7)5-1-2-13-4-5/h1-4H,(H,9,10)(H,11,12)
InChIKey
QGSGAUUMYVXRLX-UHFFFAOYSA-N
Compound name
3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

178.03784 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe