CID 145913147

2378506-96-6

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=C(NN=C1)C2=CC(=CN=C2)C(=O)O
InChI
InChI=1S/C9H7N3O2/c13-9(14)7-3-6(4-10-5-7)8-1-2-11-12-8/h1-5H,(H,11,12)(H,13,14)
InChIKey
LQDPKYGVHIKKGN-UHFFFAOYSA-N
Compound name
5-(1H-pyrazol-5-yl)pyridine-3-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 138.2
[M+Na]+ 212.04305 146.8
[M-H]- 188.04655 138.8
[M+NH4]+ 207.08765 153.8
[M+K]+ 228.01699 143.1
[M+H-H2O]+ 172.05109 130.0
[M+HCOO]- 234.05203 157.7
[M+CH3COO]- 248.06768 175.3
[M+Na-2H]- 210.02850 143.4
[M]+ 189.05328 136.0
[M]- 189.05438 136.0
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.