CID 439902

2485-33-8

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

6
References

842
Patents

163.04807 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05535 132.9
[M+Na]+ 186.03729 137.8
[M-H]- 162.04079 128.6
[M+NH4]+ 181.08189 150.2
[M+K]+ 202.01123 137.9
[M+H-H2O]+ 146.04533 128.1
[M+HCOO]- 208.04627 150.4
[M+CH3COO]- 222.06192 173.2
[M+Na-2H]- 184.02274 132.8
[M]+ 163.04752 129.3
[M]- 163.04862 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