CID 3034757

20933-67-9

Structural Information

Molecular Formula
C4H5NO2S2
SMILES
C1C(NC(=S)S1)C(=O)O
InChI
InChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)
InChIKey
SQUOCHQOQMZGQP-UHFFFAOYSA-N
Compound name
2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

94
References

168
Patents

162.97617 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.98345 130.8
[M+Na]+ 185.96539 138.8
[M-H]- 161.96889 130.4
[M+NH4]+ 181.00999 151.1
[M+K]+ 201.93933 134.9
[M+H-H2O]+ 145.97343 126.3
[M+HCOO]- 207.97437 139.3
[M+CH3COO]- 221.99002 167.8
[M+Na-2H]- 183.95084 128.9
[M]+ 162.97562 128.1
[M]- 162.97672 128.1
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.