CID 3006164

5-methylthiazolidine-2-thione

Structural Information

Molecular Formula
C4H7NS2
SMILES
CC1CNC(=S)S1
InChI
InChI=1S/C4H7NS2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)
InChIKey
OIKWJUAGJHMOOM-UHFFFAOYSA-N
Compound name
5-methyl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

133.002 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.00928 123.3
[M+Na]+ 155.99122 132.3
[M-H]- 131.99472 124.5
[M+NH4]+ 151.03582 146.0
[M+K]+ 171.96516 128.8
[M+H-H2O]+ 115.99926 118.8
[M+HCOO]- 178.00020 133.7
[M+CH3COO]- 192.01585 166.5
[M+Na-2H]- 153.97667 122.4
[M]+ 133.00145 121.0
[M]- 133.00255 121.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe