CID 289289

18502-58-4

Structural Information

Molecular Formula
C5H8O3S
SMILES
CC12CS(=O)(=O)CC1O2
InChI
InChI=1S/C5H8O3S/c1-5-3-9(6,7)2-4(5)8-5/h4H,2-3H2,1H3
InChIKey
YXKGOIYIAHKTKS-UHFFFAOYSA-N
Compound name
1-methyl-6-oxa-3lambda6-thiabicyclo[3.1.0]hexane 3,3-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

148.01941 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.02669 123.6
[M+Na]+ 171.00863 136.1
[M-H]- 147.01213 130.5
[M+NH4]+ 166.05323 145.9
[M+K]+ 186.98257 136.4
[M+H-H2O]+ 131.01667 121.3
[M+HCOO]- 193.01761 140.9
[M+CH3COO]- 207.03326 172.8
[M+Na-2H]- 168.99408 131.5
[M]+ 148.01886 130.9
[M]- 148.01996 130.9
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