CID 26091

N-(2-aminoethyl)-1,3-propanediamine

Structural Information

Molecular Formula

C₅H₁₅N₃

SMILES

C(CN)CNCCN

InChI

InChI=1S/C5H15N3/c6-2-1-4-8-5-3-7/h8H,1-7H2

InChIKey

DTSDBGVDESRKKD-UHFFFAOYSA-N

Compound name

N'-(2-aminoethyl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 6297
Patents: 117.126595 Da
Monoisotopic Mass: -1.7
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]+	118.13387	124.5
[M+Na]+	140.11581	131.7
[M+NH4]+	135.16042	132.1
[M+K]+	156.08975	126.8
[M-H]-	116.11932	125.4
[M+Na-2H]-	138.10126	128.0
[M]+	117.12605	125.2
[M]-	117.12714	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe