CID 175868

84434-12-8

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

C(CNCCN)C(=O)O

InChI

InChI=1S/C5H12N2O2/c6-2-4-7-3-1-5(8)9/h7H,1-4,6H2,(H,8,9)

InChIKey

NNLRDVBAHRQMHK-UHFFFAOYSA-N

Compound name

3-(2-aminoethylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1473
Patents: 132.08987 Da
Monoisotopic Mass: -3.9
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]+	133.09715	127.9
[M+Na]+	155.07909	133.3
[M-H]-	131.08259	126.2
[M+NH4]+	150.12369	148.1
[M+K]+	171.05303	132.7
[M+H-H2O]+	115.08713	122.6
[M+HCOO]-	177.08807	151.5
[M+CH3COO]-	191.10372	174.6
[M+Na-2H]-	153.06454	132.9
[M]+	132.08932	125.6
[M]-	132.09042	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe