CID 84082956

1784143-03-8

Structural Information

Molecular Formula
C4H8O3S
SMILES
C1C(CS1(=O)=O)CO
InChI
InChI=1S/C4H8O3S/c5-1-4-2-8(6,7)3-4/h4-5H,1-3H2
InChIKey
DWXBDUJNOXSPKX-UHFFFAOYSA-N
Compound name
(1,1-dioxothietan-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

136.01941 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.026686 118.1
[M+Na]+ 159.008628 125.0
[M-H]- 135.012134 120.8
[M+NH4]+ 154.053233 134.9
[M+K]+ 174.982568 126.7
[M+H-H2O]+ 119.016670 109.3
[M+HCOO]- 181.017611 134.7
[M+CH3COO]- 195.033261 169.2
[M+Na-2H]- 156.994076 122.7
[M]+ 136.01886142 128.0
[M]- 136.01995858 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

patents stripe