CID 3002140

15998-93-3

Structural Information

Molecular Formula
C5H8N2OS
SMILES
CC1(C(=O)NC(=S)N1)C
InChI
InChI=1S/C5H8N2OS/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)
InChIKey
QSAASNVWPNBKDI-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

61
Patents

144.03574 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04302 127.4
[M+Na]+ 167.02496 137.2
[M-H]- 143.02846 126.3
[M+NH4]+ 162.06956 149.6
[M+K]+ 182.99890 133.7
[M+H-H2O]+ 127.03300 123.2
[M+HCOO]- 189.03394 140.9
[M+CH3COO]- 203.04959 166.2
[M+Na-2H]- 165.01041 128.9
[M]+ 144.03519 124.5
[M]- 144.03629 124.5
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.