CID 25312775

2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide

Structural Information

Molecular Formula
C6H8N2S2
SMILES
CC1=NC(=CS1)CC(=S)N
InChI
InChI=1S/C6H8N2S2/c1-4-8-5(3-10-4)2-6(7)9/h3H,2H2,1H3,(H2,7,9)
InChIKey
DIPOGENEJOSFDE-UHFFFAOYSA-N
Compound name
2-(2-methyl-1,3-thiazol-4-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0129 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02018 132.6
[M+Na]+ 195.00212 142.0
[M-H]- 171.00562 135.0
[M+NH4]+ 190.04672 153.9
[M+K]+ 210.97606 138.0
[M+H-H2O]+ 155.01016 126.9
[M+HCOO]- 217.01110 145.9
[M+CH3COO]- 231.02675 179.0
[M+Na-2H]- 192.98757 131.7
[M]+ 172.01235 133.1
[M]- 172.01345 133.1
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

No patent data available for this compound.