CID 86136791

2-amino-4-ethoxy-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C6H13NO4
SMILES
CCOCC(C(C(=O)O)N)O
InChI
InChI=1S/C6H13NO4/c1-2-11-3-4(8)5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)
InChIKey
HGJWTABGNGOSDZ-UHFFFAOYSA-N
Compound name
2-amino-4-ethoxy-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

163.08446 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09174 135.8
[M+Na]+ 186.07368 140.7
[M-H]- 162.07718 132.7
[M+NH4]+ 181.11828 154.2
[M+K]+ 202.04762 141.0
[M+H-H2O]+ 146.08172 130.7
[M+HCOO]- 208.08266 155.0
[M+CH3COO]- 222.09831 176.1
[M+Na-2H]- 184.05913 137.0
[M]+ 163.08391 134.4
[M]- 163.08501 134.4
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.