CID 57688435

2361643-70-9

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC(=CN=C1)N2C=CC(=N2)C(=O)O
InChI
InChI=1S/C9H7N3O2/c13-9(14)8-3-5-12(11-8)7-2-1-4-10-6-7/h1-6H,(H,13,14)
InChIKey
JSTDFOPANOQMSP-UHFFFAOYSA-N
Compound name
1-pyridin-3-ylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

189.05383 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 137.5
[M+Na]+ 212.04305 146.6
[M-H]- 188.04655 139.5
[M+NH4]+ 207.08765 153.8
[M+K]+ 228.01699 143.7
[M+H-H2O]+ 172.05109 129.0
[M+HCOO]- 234.05203 158.5
[M+CH3COO]- 248.06768 177.8
[M+Na-2H]- 210.02850 143.3
[M]+ 189.05328 137.2
[M]- 189.05438 137.2
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

patents stripe