CID 57029335

3-[bis(3-aminopropyl)amino]propanoic acid trihydrochloride

Structural Information

Molecular Formula

C₉H₂₁N₃O₂

SMILES

C(CN)CN(CCCN)CCC(=O)O

InChI

InChI=1S/C9H21N3O2/c10-4-1-6-12(7-2-5-11)8-3-9(13)14/h1-8,10-11H2,(H,13,14)

InChIKey

KOFMPLVZLXBEHF-UHFFFAOYSA-N

Compound name

3-[bis(3-aminopropyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 203.16338 Da
Monoisotopic Mass: -3.7
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]+	204.17066	148.9
[M+Na]+	226.15260	153.6
[M+NH4]+	221.19720	154.1
[M+K]+	242.12654	150.3
[M-H]-	202.15610	147.8
[M+Na-2H]-	224.13805	149.4
[M]+	203.16283	148.5
[M]-	203.16393	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe