CID 11147873

Methyl 4-oxothiolane-2-carboxylate

Structural Information

Molecular Formula
C6H8O3S
SMILES
COC(=O)C1CC(=O)CS1
InChI
InChI=1S/C6H8O3S/c1-9-6(8)5-2-4(7)3-10-5/h5H,2-3H2,1H3
InChIKey
YPJJKEIIYAQKDK-UHFFFAOYSA-N
Compound name
methyl 4-oxothiolane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.01941 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02669 133.6
[M+Na]+ 183.00863 142.3
[M+NH4]+ 178.05323 141.7
[M+K]+ 198.98257 137.7
[M-H]- 159.01213 133.7
[M+Na-2H]- 180.99408 136.0
[M]+ 160.01886 135.0
[M]- 160.01996 135.0
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