CID 11019246

222970-60-7

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

COC(=O)C1=CNC(=O)C(=C1)N

InChI

InChI=1S/C7H8N2O3/c1-12-7(11)4-2-5(8)6(10)9-3-4/h2-3H,8H2,1H3,(H,9,10)

InChIKey

VBLORHWVTGBGNH-UHFFFAOYSA-N

Compound name

methyl 5-amino-6-oxo-1H-pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 168.0535 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.06078	132.4
[M+Na]+	191.04272	143.5
[M+NH4]+	186.08732	138.7
[M+K]+	207.01666	139.7
[M-H]-	167.04622	132.4
[M+Na-2H]-	189.02817	137.4
[M]+	168.05295	133.6
[M]-	168.05405	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe