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
3
Annotation Hits

0
References

592
Patents

118.00885 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.016126 119.0
[M+Na]+ 140.998068 128.0
[M-H]- 117.001574 124.0
[M+NH4]+ 136.042673 142.8
[M+K]+ 156.972008 128.6
[M+H-H2O]+ 101.006110 115.1
[M+HCOO]- 163.007051 137.7
[M+CH3COO]- 177.022701 165.2
[M+Na-2H]- 138.983516 122.5
[M]+ 118.00830142 120.4
[M]- 118.00939858 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