CID 140790

21035-65-4

Structural Information

Molecular Formula
C5H6N2O2S
SMILES
CN1C(=O)C(=O)N(C1=S)C
InChI
InChI=1S/C5H6N2O2S/c1-6-3(8)4(9)7(2)5(6)10/h1-2H3
InChIKey
HVJOAXXTFFTWTA-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-sulfanylideneimidazolidine-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

158.015 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02228 128.6
[M+Na]+ 181.00422 140.3
[M-H]- 157.00772 130.9
[M+NH4]+ 176.04882 150.1
[M+K]+ 196.97816 138.2
[M+H-H2O]+ 141.01226 123.6
[M+HCOO]- 203.01320 145.4
[M+CH3COO]- 217.02885 175.4
[M+Na-2H]- 178.98967 128.3
[M]+ 158.01445 130.6
[M]- 158.01555 130.6
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.