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 131.1
[M+Na]+ 189.01920 137.6
[M-H]- 165.02270 129.4
[M+NH4]+ 184.06380 149.6
[M+K]+ 204.99314 134.7
[M+H-H2O]+ 149.02724 127.2
[M+HCOO]- 211.02818 142.0
[M+CH3COO]- 225.04383 166.0
[M+Na-2H]- 187.00465 131.6
[M]+ 166.02943 127.0
[M]- 166.03053 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.