CID 28875514

1083402-25-8

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC(=NC(=C1)N2C=CN=C2)C(=O)O
InChI
InChI=1S/C9H7N3O2/c13-9(14)7-2-1-3-8(11-7)12-5-4-10-6-12/h1-6H,(H,13,14)
InChIKey
GWEGTYZDIZZFDF-UHFFFAOYSA-N
Compound name
6-imidazol-1-ylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

189.05383 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.061106 137.5
[M+Na]+ 212.043048 146.6
[M-H]- 188.046554 139.5
[M+NH4]+ 207.087653 153.8
[M+K]+ 228.016988 143.7
[M+H-H2O]+ 172.051090 129.0
[M+HCOO]- 234.052031 158.5
[M+CH3COO]- 248.067681 177.8
[M+Na-2H]- 210.028496 143.3
[M]+ 189.05328142 137.2
[M]- 189.05437858 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