CID 5289570

Methyl(6s)-1-thio-l-manno-hexodialdo-6,2-pyranoside

Structural Information

Molecular Formula
C7H12O5S
SMILES
CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C=S)O)O)O
InChI
InChI=1S/C7H12O5S/c1-11-7-6(10)5(9)4(8)3(2-13)12-7/h2-10H,1H3/t3-,4+,5+,6-,7-/m1/s1
InChIKey
RAZJTJNGLFDKPL-VOQCIKJUSA-N
Compound name
(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carbothialdehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04054 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04782 140.8
[M+Na]+ 231.02976 147.9
[M-H]- 207.03326 141.2
[M+NH4]+ 226.07436 157.2
[M+K]+ 247.00370 146.3
[M+H-H2O]+ 191.03780 136.2
[M+HCOO]- 253.03874 152.1
[M+CH3COO]- 267.05439 177.2
[M+Na-2H]- 229.01521 141.3
[M]+ 208.03999 141.0
[M]- 208.04109 141.0
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.