CID 122235265

Methyl 3-amino-5-methylisonicotinate

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CC1=CN=CC(=C1C(=O)OC)N

InChI

InChI=1S/C8H10N2O2/c1-5-3-10-4-6(9)7(5)8(11)12-2/h3-4H,9H2,1-2H3

InChIKey

SKLATCNQJODVHO-UHFFFAOYSA-N

Compound name

methyl 3-amino-5-methylpyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 166.07423 Da
Monoisotopic Mass: 0.9
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]+	167.08151	133.8
[M+Na]+	189.06345	145.7
[M+NH4]+	184.10805	141.1
[M+K]+	205.03739	140.9
[M-H]-	165.06695	135.1
[M+Na-2H]-	187.04890	139.7
[M]+	166.07368	135.6
[M]-	166.07478	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe