CID 3032907

33368-94-4

Structural Information

Molecular Formula
C4H6N2OS
SMILES
CC1C(=O)NC(=S)N1
InChI
InChI=1S/C4H6N2OS/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8)
InChIKey
HYDZMARBTYAIMU-UHFFFAOYSA-N
Compound name
5-methyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

130.02008 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.027356 125.1
[M+Na]+ 153.009298 134.5
[M-H]- 129.012804 123.9
[M+NH4]+ 148.053903 145.8
[M+K]+ 168.983238 131.0
[M+H-H2O]+ 113.017340 120.0
[M+HCOO]- 175.018281 138.9
[M+CH3COO]- 189.033931 163.6
[M+Na-2H]- 150.994746 125.4
[M]+ 130.01953142 121.4
[M]- 130.02062858 121.4
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