CID 43827502

3-methoxy-2,3-dihydro-1lambda6-thiophene-1,1-dione

Structural Information

Molecular Formula
C5H8O3S
SMILES
COC1CS(=O)(=O)C=C1
InChI
InChI=1S/C5H8O3S/c1-8-5-2-3-9(6,7)4-5/h2-3,5H,4H2,1H3
InChIKey
BNKIBHSQTLZZFQ-UHFFFAOYSA-N
Compound name
3-methoxy-2,3-dihydrothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.01941 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.02669 124.3
[M+Na]+ 171.00863 134.7
[M-H]- 147.01213 129.0
[M+NH4]+ 166.05323 150.1
[M+K]+ 186.98257 133.9
[M+H-H2O]+ 131.01667 120.8
[M+HCOO]- 193.01761 145.2
[M+CH3COO]- 207.03326 168.7
[M+Na-2H]- 168.99408 128.8
[M]+ 148.01886 128.1
[M]- 148.01996 128.1
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