CID 58278930

1203486-63-8

Structural Information

Molecular Formula

C₈H₁₁N₃O₂

SMILES

CCOC(=O)C1=CN=CC(=C1N)N

InChI

InChI=1S/C8H11N3O2/c1-2-13-8(12)5-3-11-4-6(9)7(5)10/h3-4H,2,9H2,1H3,(H2,10,11)

InChIKey

YQBLSNQHYBVMRO-UHFFFAOYSA-N

Compound name

ethyl 4,5-diaminopyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 181.08513 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]+	182.092406	138.1
[M+Na]+	204.074348	146.1
[M-H]-	180.077854	140.1
[M+NH4]+	199.118953	156.0
[M+K]+	220.048288	144.4
[M+H-H2O]+	164.082390	131.1
[M+HCOO]-	226.083331	162.1
[M+CH3COO]-	240.098981	185.3
[M+Na-2H]-	202.059796	142.6
[M]+	181.08458142	136.8
[M]-	181.08567858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe