CID 10953820

4070-43-3

Structural Information

Molecular Formula
C6H11NO4
SMILES
CCOC(=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C6H11NO4/c1-2-11-5(8)3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKey
KALSWOYBXAHEKF-BYPYZUCNSA-N
Compound name
(2S)-2-amino-4-ethoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

129
Patents

161.0688 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.076076 133.8
[M+Na]+ 184.058018 139.6
[M-H]- 160.061524 132.3
[M+NH4]+ 179.102623 153.0
[M+K]+ 200.031958 140.2
[M+H-H2O]+ 144.066060 128.7
[M+HCOO]- 206.067001 154.9
[M+CH3COO]- 220.082651 177.0
[M+Na-2H]- 182.043466 135.7
[M]+ 161.06825142 133.6
[M]- 161.06934858 133.6
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

patents stripe