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

10
Annotation Hits: 3289
References: 114070
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	108.9
[M+Na]+	83.057968	116.1
[M-H]-	59.061474	108.7
[M+NH4]+	78.102573	132.7
[M+K]+	99.031908	116.1
[M+H-H2O]+	43.066010	104.5
[M+HCOO]-	105.06695	134.7
[M+CH3COO]-	119.08260	163.2
[M+Na-2H]-	81.043416	116.4
[M]+	60.068201	105.0
[M]-	60.069299	105.0

Literature stripe

literature stripe

Patent stripe

patents stripe