CID 139666

3-sulfanyloxolan-2-one

Structural Information

Molecular Formula
C4H6O2S
SMILES
C1COC(=O)C1S
InChI
InChI=1S/C4H6O2S/c5-4-3(7)1-2-6-4/h3,7H,1-2H2
InChIKey
SUWCVSZZLFOSJL-UHFFFAOYSA-N
Compound name
3-sulfanyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

683
Patents

118.00885 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.01613 119.0
[M+Na]+ 140.99807 128.0
[M-H]- 117.00157 124.0
[M+NH4]+ 136.04267 142.8
[M+K]+ 156.97201 128.6
[M+H-H2O]+ 101.00611 115.1
[M+HCOO]- 163.00705 137.7
[M+CH3COO]- 177.02270 165.2
[M+Na-2H]- 138.98352 122.5
[M]+ 118.00830 120.4
[M]- 118.00940 120.4
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