CID 170162

39123-31-4

Structural Information

Molecular Formula
C6H9NOS2
SMILES
CCCN1C(=O)CSC1=S
InChI
InChI=1S/C6H9NOS2/c1-2-3-7-5(8)4-10-6(7)9/h2-4H2,1H3
InChIKey
KKDLWQFJOGDMBI-UHFFFAOYSA-N
Compound name
3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

175.01256 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.01984 134.0
[M+Na]+ 198.00178 143.4
[M-H]- 174.00528 136.5
[M+NH4]+ 193.04638 155.8
[M+K]+ 213.97572 140.1
[M+H-H2O]+ 158.00982 129.0
[M+HCOO]- 220.01076 145.6
[M+CH3COO]- 234.02641 177.2
[M+Na-2H]- 195.98723 132.0
[M]+ 175.01201 135.2
[M]- 175.01311 135.2
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