CID 101762860

(3s,4r,5s)-thiane-2,3,4,5-tetrol

Structural Information

Molecular Formula
C5H10O4S
SMILES
C1[C@H]([C@H]([C@@H](C(S1)O)O)O)O
InChI
InChI=1S/C5H10O4S/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m1/s1
InChIKey
QWVJFKXOINHVGD-ZRMNMSDTSA-N
Compound name
(3S,4R,5S)-thiane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02998 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03726 130.6
[M+Na]+ 189.01920 138.9
[M+NH4]+ 184.06380 137.8
[M+K]+ 204.99314 134.3
[M-H]- 165.02270 129.7
[M+Na-2H]- 187.00465 132.0
[M]+ 166.02943 131.5
[M]- 166.03053 131.5
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.