CID 3052681

69226-05-7

Structural Information

Molecular Formula
C5H9NS2
SMILES
CCC1=CSC(N1)S
InChI
InChI=1S/C5H9NS2/c1-2-4-3-8-5(7)6-4/h3,5-7H,2H2,1H3
InChIKey
DTRQWCLMUBJQJN-UHFFFAOYSA-N
Compound name
4-ethyl-2,3-dihydro-1,3-thiazole-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

147.01764 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.02492 128.2
[M+Na]+ 170.00686 138.2
[M+NH4]+ 165.05146 137.9
[M+K]+ 185.98080 130.3
[M-H]- 146.01036 129.7
[M+Na-2H]- 167.99231 131.5
[M]+ 147.01709 130.9
[M]- 147.01819 130.9
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