CID 65699781

Methyl 2,3-diaminopyridine-4-carboxylate

Structural Information

Molecular Formula

C₇H₉N₃O₂

SMILES

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

InChI

InChI=1S/C7H9N3O2/c1-12-7(11)4-2-3-10-6(9)5(4)8/h2-3H,8H2,1H3,(H2,9,10)

InChIKey

SLVVBSUMCKZAQX-UHFFFAOYSA-N

Compound name

methyl 2,3-diaminopyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 167.06947 Da
Monoisotopic Mass: 0.2
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]+	168.07675	133.4
[M+Na]+	190.05869	143.8
[M+NH4]+	185.10329	140.2
[M+K]+	206.03263	139.9
[M-H]-	166.06219	134.7
[M+Na-2H]-	188.04414	138.7
[M]+	167.06892	134.8
[M]-	167.07002	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe