CID 62089626

3-methyl-3-(thiophen-3-yl)oxolane-2,5-dione

Structural Information

Molecular Formula
C9H8O3S
SMILES
CC1(CC(=O)OC1=O)C2=CSC=C2
InChI
InChI=1S/C9H8O3S/c1-9(6-2-3-13-5-6)4-7(10)12-8(9)11/h2-3,5H,4H2,1H3
InChIKey
IWIVBDULZYFZNO-UHFFFAOYSA-N
Compound name
3-methyl-3-thiophen-3-yloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.01941 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.02669 138.4
[M+Na]+ 219.00863 148.8
[M-H]- 195.01213 147.0
[M+NH4]+ 214.05323 162.8
[M+K]+ 234.98257 148.0
[M+H-H2O]+ 179.01667 135.2
[M+HCOO]- 241.01761 158.4
[M+CH3COO]- 255.03326 178.0
[M+Na-2H]- 216.99408 140.4
[M]+ 196.01886 141.7
[M]- 196.01996 141.7
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.