CID 72930

2-aminonicotinic acid

Structural Information

Molecular Formula
C6H6N2O2
SMILES
C1=CC(=C(N=C1)N)C(=O)O
InChI
InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)
InChIKey
KPIVDNYJNOPGBE-UHFFFAOYSA-N
Compound name
2-aminopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

4328
Patents

138.04292 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.050196 124.9
[M+Na]+ 161.032138 133.3
[M-H]- 137.035644 126.0
[M+NH4]+ 156.076743 144.1
[M+K]+ 177.006078 131.5
[M+H-H2O]+ 121.040180 118.8
[M+HCOO]- 183.041121 147.7
[M+CH3COO]- 197.056771 171.6
[M+Na-2H]- 159.017586 131.6
[M]+ 138.04237142 122.5
[M]- 138.04346858 122.5
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

patents stripe