CID 90658000

1-(methylthio)ribulose 5-phosphate(2-)

Structural Information

Molecular Formula
C6H13O7PS
SMILES
CSCC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O
InChI
InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h4,6-7,9H,2-3H2,1H3,(H2,10,11,12)/t4-,6+/m1/s1
InChIKey
JQZPXWYLEQDBGH-XINAWCOVSA-N
Compound name
[(2R,3S)-2,3-dihydroxy-5-methylsulfanyl-4-oxopentyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

260.01196 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01924 153.4
[M+Na]+ 283.00118 157.0
[M-H]- 259.00468 146.5
[M+NH4]+ 278.04578 167.5
[M+K]+ 298.97512 156.2
[M+H-H2O]+ 243.00922 146.1
[M+HCOO]- 305.01016 168.5
[M+CH3COO]- 319.02581 183.6
[M+Na-2H]- 280.98663 150.4
[M]+ 260.01141 156.5
[M]- 260.01251 156.5
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.