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

3
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 126.0
[M+Na]+ 170.00686 135.4
[M-H]- 146.01036 127.4
[M+NH4]+ 165.05146 148.3
[M+K]+ 185.98080 132.0
[M+H-H2O]+ 130.01490 121.2
[M+HCOO]- 192.01584 137.4
[M+CH3COO]- 206.03149 170.0
[M+Na-2H]- 167.99231 125.6
[M]+ 147.01709 126.1
[M]- 147.01819 126.1
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