CID 28948768

1152539-87-1

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC(=CN=C1)C2=C(C=NN2)C(=O)O
InChI
InChI=1S/C9H7N3O2/c13-9(14)7-5-11-12-8(7)6-2-1-3-10-4-6/h1-5H,(H,11,12)(H,13,14)
InChIKey
VWYBENBMTLUDHF-UHFFFAOYSA-N
Compound name
5-pyridin-3-yl-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.05383 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 139.3
[M+Na]+ 212.04305 151.5
[M+NH4]+ 207.08765 145.6
[M+K]+ 228.01699 148.7
[M-H]- 188.04655 139.5
[M+Na-2H]- 210.02850 146.2
[M]+ 189.05328 140.7
[M]- 189.05438 140.7
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.