CID 290011

Methyl 2-(1,1-dioxo-1lambda6-thiolan-3-yl)acetate

Structural Information

Molecular Formula
C7H12O4S
SMILES
COC(=O)CC1CCS(=O)(=O)C1
InChI
InChI=1S/C7H12O4S/c1-11-7(8)4-6-2-3-12(9,10)5-6/h6H,2-5H2,1H3
InChIKey
RYJMVDYQGFCLIW-UHFFFAOYSA-N
Compound name
methyl 2-(1,1-dioxothiolan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04562 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.052896 137.7
[M+Na]+ 215.034838 146.0
[M-H]- 191.038344 141.6
[M+NH4]+ 210.079443 161.5
[M+K]+ 231.008778 145.3
[M+H-H2O]+ 175.042880 134.0
[M+HCOO]- 237.043821 155.8
[M+CH3COO]- 251.059471 176.4
[M+Na-2H]- 213.020286 139.4
[M]+ 192.04507142 140.9
[M]- 192.04616858 140.9
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.