CID 88926

3-butyl-2-thioxothiazolidin-4-one

Structural Information

Molecular Formula
C7H11NOS2
SMILES
CCCCN1C(=O)CSC1=S
InChI
InChI=1S/C7H11NOS2/c1-2-3-4-8-6(9)5-11-7(8)10/h2-5H2,1H3
InChIKey
UTUUGODMVOQPEQ-UHFFFAOYSA-N
Compound name
3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

189.02821 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03549 142.2
[M+Na]+ 212.01743 151.4
[M+NH4]+ 207.06203 150.7
[M+K]+ 227.99137 143.3
[M-H]- 188.02093 143.0
[M+Na-2H]- 210.00288 143.7
[M]+ 189.02766 144.4
[M]- 189.02876 144.4
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

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