CID 2763408

1,3-thiazinane-2-thione

Structural Information

Molecular Formula
C4H7NS2
SMILES
C1CNC(=S)SC1
InChI
InChI=1S/C4H7NS2/c6-4-5-2-1-3-7-4/h1-3H2,(H,5,6)
InChIKey
DDDWOMIVMIHAEN-UHFFFAOYSA-N
Compound name
1,3-thiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

121
Patents

133.002 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.009276 121.6
[M+Na]+ 155.991218 128.4
[M-H]- 131.994724 121.9
[M+NH4]+ 151.035823 141.9
[M+K]+ 171.965158 124.5
[M+H-H2O]+ 115.999260 116.5
[M+HCOO]- 178.000201 129.9
[M+CH3COO]- 192.015851 165.6
[M+Na-2H]- 153.976666 123.0
[M]+ 133.00145142 116.5
[M]- 133.00254858 116.5
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