CID 3159715

374064-01-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
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 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

literature stripe

Patent stripe

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