CID 439897

(2s)-2-amino-3-hydroxypentanedioic acid

Structural Information

Molecular Formula
C5H9NO5
SMILES
C(C([C@@H](C(=O)O)N)O)C(=O)O
InChI
InChI=1S/C5H9NO5/c6-4(5(10)11)2(7)1-3(8)9/h2,4,7H,1,6H2,(H,8,9)(H,10,11)/t2?,4-/m0/s1
InChIKey
LKZIEAUIOCGXBY-AOIFVJIMSA-N
Compound name
(2S)-2-amino-3-hydroxypentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

43
References

967
Patents

163.04807 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.055346 132.9
[M+Na]+ 186.037288 137.8
[M-H]- 162.040794 128.6
[M+NH4]+ 181.081893 150.2
[M+K]+ 202.011228 137.9
[M+H-H2O]+ 146.045330 128.1
[M+HCOO]- 208.046271 150.4
[M+CH3COO]- 222.061921 173.2
[M+Na-2H]- 184.022736 132.8
[M]+ 163.04752142 129.3
[M]- 163.04861858 129.3
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