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

56
Patents

160.9969 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.00418 128.0
[M+Na]+ 183.98612 138.1
[M-H]- 159.98962 129.4
[M+NH4]+ 179.03072 151.5
[M+K]+ 199.96006 134.3
[M+H-H2O]+ 143.99416 124.6
[M+HCOO]- 205.99510 138.4
[M+CH3COO]- 220.01075 171.1
[M+Na-2H]- 181.97157 128.0
[M]+ 160.99635 127.5
[M]- 160.99745 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