CID 155820508

2460756-76-5

Structural Information

Molecular Formula
C9H14O5S
SMILES
CCOC(=O)C1(C(=O)CCCS1(=O)=O)C
InChI
InChI=1S/C9H14O5S/c1-3-14-8(11)9(2)7(10)5-4-6-15(9,12)13/h3-6H2,1-2H3
InChIKey
CYEHCNARKSXWCH-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-1,1,3-trioxothiane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0562 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06348 143.0
[M+Na]+ 257.04542 151.0
[M-H]- 233.04892 146.7
[M+NH4]+ 252.09002 165.1
[M+K]+ 273.01936 150.3
[M+H-H2O]+ 217.05346 139.7
[M+HCOO]- 279.05440 158.6
[M+CH3COO]- 293.07005 185.1
[M+Na-2H]- 255.03087 146.6
[M]+ 234.05565 146.4
[M]- 234.05675 146.4
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

No patent data available for this compound.