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]+ 164.091736 135.8
[M+Na]+ 186.073678 140.7
[M-H]- 162.077184 132.7
[M+NH4]+ 181.118283 154.2
[M+K]+ 202.047618 141.0
[M+H-H2O]+ 146.081720 130.7
[M+HCOO]- 208.082661 155.0
[M+CH3COO]- 222.098311 176.1
[M+Na-2H]- 184.059126 137.0
[M]+ 163.08391142 134.4
[M]- 163.08500858 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.