CID 131752727

Dihydro-4-mercapto-3(2h)-furanone

Structural Information

Molecular Formula
C4H6O2S
SMILES
C1C(C(=O)CO1)S
InChI
InChI=1S/C4H6O2S/c5-3-1-6-2-4(3)7/h4,7H,1-2H2
InChIKey
CBMFNAVNFZNJMZ-UHFFFAOYSA-N
Compound name
4-sulfanyloxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

118.00885 Da
Monoisotopic Mass

0.0
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

literature stripe

Patent stripe

patents stripe