CID 86289122

6-deoxy-6-sulfo-d-fructofuranose 1-phosphate(3-)

Structural Information

Molecular Formula
C6H13O11PS
SMILES
C([C@@H]1[C@H]([C@@H](C(O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O
InChI
InChI=1S/C6H13O11PS/c7-4-3(1-19(13,14)15)17-6(9,5(4)8)2-16-18(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H,13,14,15)/t3-,4-,5+,6?/m1/s1
InChIKey
IZVMCURFIBVEOJ-VRPWFDPXSA-N
Compound name
[(2S,3S,4S)-3,4,5-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

323.9916 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.99888 156.9
[M+Na]+ 346.98082 161.7
[M-H]- 322.98432 151.7
[M+NH4]+ 342.02542 169.4
[M+K]+ 362.95476 162.1
[M+H-H2O]+ 306.98886 152.4
[M+HCOO]- 368.98980 169.8
[M+CH3COO]- 383.00545 186.9
[M+Na-2H]- 344.96627 161.2
[M]+ 323.99105 160.3
[M]- 323.99215 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.