CID 122045

D-arabinonic acid

Structural Information

Molecular Formula
C5H10O6
SMILES
C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O
InChI
InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m1/s1
InChIKey
QXKAIJAYHKCRRA-JJYYJPOSSA-N
Compound name
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

77
References

10250
Patents

166.04774 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05502 133.5
[M+Na]+ 189.03696 138.3
[M+NH4]+ 184.08156 136.9
[M+K]+ 205.01090 139.6
[M-H]- 165.04046 127.1
[M+Na-2H]- 187.02241 131.4
[M]+ 166.04719 131.5
[M]- 166.04829 131.5
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

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