CID 445310

Xyh

Structural Information

Molecular Formula
C5H9NO7
SMILES
[C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)O)O)O
InChI
InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2-,3+/m0/s1
InChIKey
DMGBHBFPSRKPBV-XZIMBLGRSA-N
Compound name
(2R,3S,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

195.0379 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04518 137.9
[M+Na]+ 218.02712 141.4
[M-H]- 194.03062 131.3
[M+NH4]+ 213.07172 152.5
[M+K]+ 234.00106 142.1
[M+H-H2O]+ 178.03516 132.8
[M+HCOO]- 240.03610 152.4
[M+CH3COO]- 254.05175 174.5
[M+Na-2H]- 216.01257 136.8
[M]+ 195.03735 133.7
[M]- 195.03845 133.7
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.