CID 14834209

N1-(pyridin-4-yl)ethane-1,2-diamine

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

C1=CN=CC=C1NCCN

InChI

InChI=1S/C7H11N3/c8-3-6-10-7-1-4-9-5-2-7/h1-2,4-5H,3,6,8H2,(H,9,10)

InChIKey

HWVWEGOXLGPYDB-UHFFFAOYSA-N

Compound name

N'-pyridin-4-ylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 137.09529 Da
Monoisotopic Mass: -0.1
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]+	138.102566	126.8
[M+Na]+	160.084508	133.4
[M-H]-	136.088014	128.5
[M+NH4]+	155.129113	146.3
[M+K]+	176.058448	131.4
[M+H-H2O]+	120.092550	119.9
[M+HCOO]-	182.093491	152.2
[M+CH3COO]-	196.109141	176.9
[M+Na-2H]-	158.069956	135.9
[M]+	137.09474142	124.0
[M]-	137.09583858	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe