CID 3145946

Chebi:233560

Structural Information

Molecular Formula
C6H8N2O3S
SMILES
C(CC(=O)O)C1C(=O)NC(=S)N1
InChI
InChI=1S/C6H8N2O3S/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)
InChIKey
KUXWRHDAVRASKI-UHFFFAOYSA-N
Compound name
3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

188.02556 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.032836 139.8
[M+Na]+ 211.014778 147.4
[M-H]- 187.018284 136.8
[M+NH4]+ 206.059383 157.0
[M+K]+ 226.988718 143.3
[M+H-H2O]+ 171.022820 134.4
[M+HCOO]- 233.023761 150.9
[M+CH3COO]- 247.039411 171.5
[M+Na-2H]- 209.000226 137.9
[M]+ 188.02501142 136.5
[M]- 188.02610858 136.5
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.