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]+ 167.037256 131.1
[M+Na]+ 189.019198 137.6
[M-H]- 165.022704 129.4
[M+NH4]+ 184.063803 149.6
[M+K]+ 204.993138 134.7
[M+H-H2O]+ 149.027240 127.2
[M+HCOO]- 211.028181 142.0
[M+CH3COO]- 225.043831 166.0
[M+Na-2H]- 187.004646 131.6
[M]+ 166.02943142 127.0
[M]- 166.03052858 127.0
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.