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]+ 149.026686 124.3
[M+Na]+ 171.008628 134.7
[M-H]- 147.012134 129.0
[M+NH4]+ 166.053233 150.1
[M+K]+ 186.982568 133.9
[M+H-H2O]+ 131.016670 120.8
[M+HCOO]- 193.017611 145.2
[M+CH3COO]- 207.033261 168.7
[M+Na-2H]- 168.994076 128.8
[M]+ 148.01886142 128.1
[M]- 148.01995858 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