CID 419566

Pyridine-3,4,5-triamine

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

C1=C(C(=C(C=N1)N)N)N

InChI

InChI=1S/C5H8N4/c6-3-1-9-2-4(7)5(3)8/h1-2H,6-7H2,(H2,8,9)

InChIKey

UIQHHOMREHEPJX-UHFFFAOYSA-N

Compound name

pyridine-3,4,5-triamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 84
Patents: 124.0749 Da
Monoisotopic Mass: -1.2
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]+	125.082176	122.7
[M+Na]+	147.064118	131.3
[M-H]-	123.067624	124.5
[M+NH4]+	142.108723	142.4
[M+K]+	163.038058	129.0
[M+H-H2O]+	107.072160	116.2
[M+HCOO]-	169.073101	148.5
[M+CH3COO]-	183.088751	177.1
[M+Na-2H]-	145.049566	129.4
[M]+	124.07435142	117.2
[M]-	124.07544858	117.2

Literature stripe

literature stripe

Patent stripe

patents stripe