CID 3000730

5-methylrhodanine

Structural Information

Molecular Formula
C4H5NOS2
SMILES
CC1C(=O)NC(=S)S1
InChI
InChI=1S/C4H5NOS2/c1-2-3(6)5-4(7)8-2/h2H,1H3,(H,5,6,7)
InChIKey
CWRGNNVQJYSNKB-UHFFFAOYSA-N
Compound name
5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

146.98126 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.98854 126.0
[M+Na]+ 169.97048 135.9
[M-H]- 145.97398 127.4
[M+NH4]+ 165.01508 148.2
[M+K]+ 185.94442 132.0
[M+H-H2O]+ 129.97852 121.7
[M+HCOO]- 191.97946 136.8
[M+CH3COO]- 205.99511 168.6
[M+Na-2H]- 167.95593 124.6
[M]+ 146.98071 124.7
[M]- 146.98181 124.7
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