CID 10330995

161196-23-2

Structural Information

Molecular Formula
C8H10O3S2
SMILES
CC(=C)C(=O)OCC1CSC(=S)O1
InChI
InChI=1S/C8H10O3S2/c1-5(2)7(9)10-3-6-4-13-8(12)11-6/h6H,1,3-4H2,2H3
InChIKey
CHGDTKXIBWRKIM-UHFFFAOYSA-N
Compound name
(2-sulfanylidene-1,3-oxathiolan-5-yl)methyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

218.00714 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.01442 146.8
[M+Na]+ 240.99636 153.8
[M-H]- 216.99986 150.7
[M+NH4]+ 236.04096 166.2
[M+K]+ 256.97030 152.1
[M+H-H2O]+ 201.00440 142.1
[M+HCOO]- 263.00534 156.9
[M+CH3COO]- 277.02099 183.4
[M+Na-2H]- 238.98181 144.1
[M]+ 218.00659 149.1
[M]- 218.00769 149.1
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