CID 170456158

(2r)-2-(hydroxymethyl)-1,3-oxathiolan-5-ol

Structural Information

Molecular Formula
C4H8O3S
SMILES
C1C(O[C@H](S1)CO)O
InChI
InChI=1S/C4H8O3S/c5-1-4-7-3(6)2-8-4/h3-6H,1-2H2/t3?,4-/m1/s1
InChIKey
XTATYNCEPNYPJA-SRBOSORUSA-N
Compound name
(2R)-2-(hydroxymethyl)-1,3-oxathiolan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.01941 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.026686 124.3
[M+Na]+ 159.008628 131.9
[M-H]- 135.012134 126.2
[M+NH4]+ 154.053233 145.8
[M+K]+ 174.982568 131.5
[M+H-H2O]+ 119.016670 120.4
[M+HCOO]- 181.017611 139.9
[M+CH3COO]- 195.033261 162.9
[M+Na-2H]- 156.994076 127.0
[M]+ 136.01886142 124.0
[M]- 136.01995858 124.0
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.