CID 53477720

5-methylthioribose 1-phosphate

Structural Information

Molecular Formula
C6H13O7PS
SMILES
CSCC1[C@H]([C@H](C(O1)OP(=O)(O)O)O)O
InChI
InChI=1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3?,4-,5-,6?/m1/s1
InChIKey
JTFITTQBRJDSTL-WATOWXBHSA-N
Compound name
[(3R,4S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

385
Patents

260.01196 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01924 151.1
[M+Na]+ 283.00118 157.1
[M-H]- 259.00468 148.9
[M+NH4]+ 278.04578 166.6
[M+K]+ 298.97512 156.6
[M+H-H2O]+ 243.00922 144.8
[M+HCOO]- 305.01016 167.7
[M+CH3COO]- 319.02581 182.3
[M+Na-2H]- 280.98663 149.9
[M]+ 260.01141 153.9
[M]- 260.01251 153.9
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

patents stripe