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]+ 193.05290 137.7
[M+Na]+ 215.03484 146.0
[M-H]- 191.03834 141.6
[M+NH4]+ 210.07944 161.5
[M+K]+ 231.00878 145.3
[M+H-H2O]+ 175.04288 134.0
[M+HCOO]- 237.04382 155.8
[M+CH3COO]- 251.05947 176.4
[M+Na-2H]- 213.02029 139.4
[M]+ 192.04507 140.9
[M]- 192.04617 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.