CID 3153957

5-oxothiolane-3-carboxylic acid

Structural Information

Molecular Formula
C5H6O3S
SMILES
C1C(CSC1=O)C(=O)O
InChI
InChI=1S/C5H6O3S/c6-4-1-3(2-9-4)5(7)8/h3H,1-2H2,(H,7,8)
InChIKey
QLISCFVTVRXTSW-UHFFFAOYSA-N
Compound name
5-oxothiolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
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

literature stripe

Patent stripe

patents stripe