CID 84648280

1784489-16-2

Structural Information

Molecular Formula

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	137.02669	121.3
[M+Na]+	159.00863	126.6
[M+NH4]+	154.05323	126.7
[M+K]+	174.98257	121.2
[M-H]-	135.01213	118.5
[M+Na-2H]-	156.99408	124.0
[M]+	136.01886	120.4
[M]-	136.01996	120.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.