CID 3037174

5,5-dimethylrhodanine

Structural Information

Molecular Formula
C5H7NOS2
SMILES
CC1(C(=O)NC(=S)S1)C
InChI
InChI=1S/C5H7NOS2/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)
InChIKey
QAZFSCRQNWGQDE-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

112
Patents

160.9969 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.004176 128.0
[M+Na]+ 183.986118 138.1
[M-H]- 159.989624 129.4
[M+NH4]+ 179.030723 151.5
[M+K]+ 199.960058 134.3
[M+H-H2O]+ 143.994160 124.6
[M+HCOO]- 205.995101 138.4
[M+CH3COO]- 220.010751 171.1
[M+Na-2H]- 181.971566 128.0
[M]+ 160.99635142 127.5
[M]- 160.99744858 127.5
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

patents stripe