CID 45084670

4-oxothiolane-2-carboxylic acid

Structural Information

Molecular Formula
C5H6O3S
SMILES
C1C(SCC1=O)C(=O)O
InChI
InChI=1S/C5H6O3S/c6-3-1-4(5(7)8)9-2-3/h4H,1-2H2,(H,7,8)
InChIKey
IBSKPYFOLKUHNM-UHFFFAOYSA-N
Compound name
4-oxothiolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.00377 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.01105 129.2
[M+Na]+ 168.99299 137.6
[M+NH4]+ 164.03759 137.2
[M+K]+ 184.96693 133.6
[M-H]- 144.99649 128.9
[M+Na-2H]- 166.97844 131.4
[M]+ 146.00322 130.4
[M]- 146.00432 130.4
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.