CID 22145836

Methyl 5-amino-6-methoxynicotinate

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

COC1=C(C=C(C=N1)C(=O)OC)N

InChI

InChI=1S/C8H10N2O3/c1-12-7-6(9)3-5(4-10-7)8(11)13-2/h3-4H,9H2,1-2H3

InChIKey

MBHLSPAJNLINIC-UHFFFAOYSA-N

Compound name

methyl 5-amino-6-methoxypyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 182.06914 Da
Monoisotopic Mass: 0.3
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]+	183.07642	136.9
[M+Na]+	205.05836	148.3
[M+NH4]+	200.10296	143.6
[M+K]+	221.03230	144.0
[M-H]-	181.06186	137.6
[M+Na-2H]-	203.04381	142.3
[M]+	182.06859	138.4
[M]-	182.06969	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe