CID 3301

Ethylenediamine

Structural Information

Molecular Formula

C₂H₈N₂

SMILES

C(CN)N

InChI

InChI=1S/C2H8N2/c3-1-2-4/h1-4H2

InChIKey

PIICEJLVQHRZGT-UHFFFAOYSA-N

Compound name

ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 3288
References: 73822
Patents: 60.06875 Da
Monoisotopic Mass: -2.0
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]+	61.076026	107.6
[M+Na]+	83.057968	116.7
[M+NH4]+	78.102573	116.3
[M+K]+	99.031908	112.1
[M-H]-	59.061474	108.5
[M+Na-2H]-	81.043416	112.3
[M]+	60.068201	108.8
[M]-	60.069299	108.8

Literature stripe

literature stripe

Patent stripe

patents stripe