CID 74703

3-methylthiazolidine-2-thione

Structural Information

Molecular Formula
C4H7NS2
SMILES
CN1CCSC1=S
InChI
InChI=1S/C4H7NS2/c1-5-2-3-7-4(5)6/h2-3H2,1H3
InChIKey
RGTLAJIDOSPEDH-UHFFFAOYSA-N
Compound name
3-methyl-1,3-thiazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

364
Patents

133.002 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.009276 122.9
[M+Na]+ 155.991218 132.4
[M-H]- 131.994724 125.6
[M+NH4]+ 151.035823 146.3
[M+K]+ 171.965158 129.9
[M+H-H2O]+ 115.999260 118.1
[M+HCOO]- 178.000201 134.8
[M+CH3COO]- 192.015851 169.2
[M+Na-2H]- 153.976666 122.3
[M]+ 133.00145142 122.4
[M]- 133.00254858 122.4
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