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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.10773 135.9
[M+Na]+ 185.08967 140.7
[M-H]- 161.09317 133.6
[M+NH4]+ 180.13427 154.5
[M+K]+ 201.06361 140.5
[M+H-H2O]+ 145.09771 130.2
[M+HCOO]- 207.09865 157.8
[M+CH3COO]- 221.11430 180.1
[M+Na-2H]- 183.07512 138.1
[M]+ 162.09990 133.8
[M]- 162.10100 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.