CID 20597

6-oxa-3-thiabicyclo[3.1.0]hexane 3,3-dioxide

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

310
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 120.0
[M+Na]+ 156.99299 132.3
[M-H]- 132.99649 126.8
[M+NH4]+ 152.03759 141.0
[M+K]+ 172.96693 132.0
[M+H-H2O]+ 117.00103 116.7
[M+HCOO]- 179.00197 138.0
[M+CH3COO]- 193.01762 170.1
[M+Na-2H]- 154.97844 127.0
[M]+ 134.00322 126.4
[M]- 134.00432 126.4
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