CID 130066862

2-amino-5-(methoxycarbonyl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H8N2O4
SMILES
COC(=O)C1=CC(=C(N=C1)N)C(=O)O
InChI
InChI=1S/C8H8N2O4/c1-14-8(13)4-2-5(7(11)12)6(9)10-3-4/h2-3H,1H3,(H2,9,10)(H,11,12)
InChIKey
DAWYZBBGVUEPSO-UHFFFAOYSA-N
Compound name
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0484 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.055676 138.4
[M+Na]+ 219.037618 146.7
[M-H]- 195.041124 139.7
[M+NH4]+ 214.082223 155.3
[M+K]+ 235.011558 145.6
[M+H-H2O]+ 179.045660 131.9
[M+HCOO]- 241.046601 160.2
[M+CH3COO]- 255.062251 182.8
[M+Na-2H]- 217.023066 142.1
[M]+ 196.04785142 138.6
[M]- 196.04894858 138.6
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.