CID 191445

5-phosphoarabinonic acid

Structural Information

Molecular Formula
C5H11O9P
SMILES
C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4+/m1/s1
InChIKey
HNECGPFIYSOYHF-JJYYJPOSSA-N
Compound name
(2S,3R,4R)-2,3,4-trihydroxy-5-phosphonooxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

37
Patents

246.01407 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.02135 148.9
[M+Na]+ 269.00329 152.4
[M-H]- 245.00679 139.7
[M+NH4]+ 264.04789 161.5
[M+K]+ 284.97723 153.4
[M+H-H2O]+ 229.01133 142.3
[M+HCOO]- 291.01227 165.7
[M+CH3COO]- 305.02792 178.4
[M+Na-2H]- 266.98874 146.8
[M]+ 246.01352 148.3
[M]- 246.01462 148.3
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