CID 5918

3,4-diaminopyridine

Structural Information

Molecular Formula

C₅H₇N₃

SMILES

C1=CN=CC(=C1N)N

InChI

InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)

InChIKey

OYTKINVCDFNREN-UHFFFAOYSA-N

Compound name

pyridine-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 493
References: 10566
Patents: 109.063995 Da
Monoisotopic Mass: -0.5
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]+	110.07127	118.1
[M+Na]+	132.05321	129.9
[M+NH4]+	127.09782	126.8
[M+K]+	148.02715	124.5
[M-H]-	108.05672	121.0
[M+Na-2H]-	130.03866	125.7
[M]+	109.06345	120.4
[M]-	109.06454	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe