CID 12947119

3-amino-5-methoxyisonicotinic acid

Structural Information

Molecular Formula
C7H8N2O3
SMILES
COC1=C(C(=CN=C1)N)C(=O)O
InChI
InChI=1S/C7H8N2O3/c1-12-5-3-9-2-4(8)6(5)7(10)11/h2-3H,8H2,1H3,(H,10,11)
InChIKey
FEPJDBLYVHAGMW-UHFFFAOYSA-N
Compound name
3-amino-5-methoxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

168.0535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 132.7
[M+Na]+ 191.04272 143.7
[M+NH4]+ 186.08732 139.2
[M+K]+ 207.01666 140.0
[M-H]- 167.04622 132.9
[M+Na-2H]- 189.02817 137.8
[M]+ 168.05295 133.9
[M]- 168.05405 133.9
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