CID 152204

17093-74-2

Structural Information

Molecular Formula
C6H11NO4
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)C)O
InChI
InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1
InChIKey
PEDXUVCGOLSNLQ-WUJLRWPWSA-N
Compound name
(2S,3R)-2-acetamido-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

938
Patents

161.0688 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07608 134.2
[M+Na]+ 184.05802 139.3
[M-H]- 160.06152 131.8
[M+NH4]+ 179.10262 152.9
[M+K]+ 200.03196 139.9
[M+H-H2O]+ 144.06606 129.4
[M+HCOO]- 206.06700 153.3
[M+CH3COO]- 220.08265 176.1
[M+Na-2H]- 182.04347 135.3
[M]+ 161.06825 132.5
[M]- 161.06935 132.5
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