CID 84648280

1784489-16-2

Structural Information

Molecular Formula
C4H8O3S
SMILES
C1CS(=O)(=O)C1CO
InChI
InChI=1S/C4H8O3S/c5-3-4-1-2-8(4,6)7/h4-5H,1-3H2
InChIKey
CWXOPOOCNNCTQQ-UHFFFAOYSA-N
Compound name
(1,1-dioxothietan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.01941 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.02669 118.1
[M+Na]+ 159.00863 125.0
[M-H]- 135.01213 120.8
[M+NH4]+ 154.05323 134.9
[M+K]+ 174.98257 126.7
[M+H-H2O]+ 119.01667 109.3
[M+HCOO]- 181.01761 134.7
[M+CH3COO]- 195.03326 169.2
[M+Na-2H]- 156.99408 122.7
[M]+ 136.01886 128.0
[M]- 136.01996 128.0
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.