CID 20597

4509-11-9

Structural Information

Molecular Formula
C4H6O3S
SMILES
C1C2C(O2)CS1(=O)=O
InChI
InChI=1S/C4H6O3S/c5-8(6)1-3-4(2-8)7-3/h3-4H,1-2H2
InChIKey
SZAIAWVGWTXVMB-UHFFFAOYSA-N
Compound name
6-oxa-3lambda6-thiabicyclo[3.1.0]hexane 3,3-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

286
Patents

134.00377 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.01105 128.6
[M+Na]+ 156.99299 140.3
[M+NH4]+ 152.03759 139.5
[M+K]+ 172.96693 135.1
[M-H]- 132.99649 137.3
[M+Na-2H]- 154.97844 135.0
[M]+ 134.00322 134.3
[M]- 134.00432 134.3
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