CID 446250

2-amino-4-(2-amino-ethoxy)-butyric acid

Structural Information

Molecular Formula

C₆H₁₄N₂O₃

SMILES

C(COCCN)[C@@H](C(=O)O)N

InChI

InChI=1S/C6H14N2O3/c7-2-4-11-3-1-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1

InChIKey

FDDYPVBIHWFLOI-YFKPBYRVSA-N

Compound name

(2S)-2-amino-4-(2-aminoethoxy)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.10045 Da
Monoisotopic Mass: -4.8
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]+	163.107726	135.9
[M+Na]+	185.089668	140.7
[M-H]-	161.093174	133.6
[M+NH4]+	180.134273	154.5
[M+K]+	201.063608	140.5
[M+H-H2O]+	145.097710	130.2
[M+HCOO]-	207.098651	157.8
[M+CH3COO]-	221.114301	180.1
[M+Na-2H]-	183.075116	138.1
[M]+	162.09990142	133.8
[M]-	162.10099858	133.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.