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

literature stripe

Patent stripe

patents stripe