CID 1274030

2-thiohydantoin

Structural Information

Molecular Formula
C3H4N2OS
SMILES
C1C(=O)NC(=S)N1
InChI
InChI=1S/C3H4N2OS/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
InChIKey
UGWULZWUXSCWPX-UHFFFAOYSA-N
Compound name
2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

554
References

15718
Patents

116.00443 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.011706 121.1
[M+Na]+ 138.993648 130.1
[M-H]- 114.997154 119.7
[M+NH4]+ 134.038253 142.0
[M+K]+ 154.967588 126.9
[M+H-H2O]+ 99.001690 115.8
[M+HCOO]- 161.002631 135.2
[M+CH3COO]- 175.018281 159.4
[M+Na-2H]- 136.979096 122.5
[M]+ 116.00388142 116.7
[M]- 116.00497858 116.7
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