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 127.8
[M+Na]+ 168.99299 135.6
[M-H]- 144.99649 130.4
[M+NH4]+ 164.03759 150.7
[M+K]+ 184.96693 134.3
[M+H-H2O]+ 129.00103 123.6
[M+HCOO]- 191.00197 144.6
[M+CH3COO]- 205.01762 167.6
[M+Na-2H]- 166.97844 128.3
[M]+ 146.00322 127.3
[M]- 146.00432 127.3
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