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

4
Annotation Hits: 4
References: 8200
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]+	118.133871	125.2
[M+Na]+	140.115813	130.3
[M-H]-	116.119319	124.4
[M+NH4]+	135.160418	146.3
[M+K]+	156.089753	129.5
[M+H-H2O]+	100.123855	119.5
[M+HCOO]-	162.124796	151.0
[M+CH3COO]-	176.140446	177.5
[M+Na-2H]-	138.101261	131.3
[M]+	117.12604642	121.6
[M]-	117.12714358	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe