CID 170162

3-propylrhodanine

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
1
Annotation Hits

0
References

18
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 138.1
[M+Na]+ 198.00178 147.5
[M+NH4]+ 193.04638 146.8
[M+K]+ 213.97572 139.7
[M-H]- 174.00528 139.0
[M+Na-2H]- 195.98723 139.9
[M]+ 175.01201 140.4
[M]- 175.01311 140.4
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