CID 54689455

L-ascorbate 6-phosphate(3-)

Structural Information

Molecular Formula
C6H9O9P
SMILES
C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H9O9P/c7-2(1-14-16(11,12)13)5-3(8)4(9)6(10)15-5/h2,5,7-9H,1H2,(H2,11,12,13)/t2-,5+/m0/s1
InChIKey
KIENGQUGHPTFGC-JLAZNSOCSA-N
Compound name
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1414
Patents

255.99841 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.00569 147.6
[M+Na]+ 278.98763 154.0
[M-H]- 254.99113 144.5
[M+NH4]+ 274.03223 161.6
[M+K]+ 294.96157 154.8
[M+H-H2O]+ 238.99567 141.2
[M+HCOO]- 300.99661 168.2
[M+CH3COO]- 315.01226 180.9
[M+Na-2H]- 276.97308 148.5
[M]+ 255.99786 149.5
[M]- 255.99896 149.5
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

patents stripe