CID 12665971

Thiomorpholine-3-thione

Structural Information

Molecular Formula
C4H7NS2
SMILES
C1CSCC(=S)N1
InChI
InChI=1S/C4H7NS2/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6)
InChIKey
CAQSLXADSMAWHL-UHFFFAOYSA-N
Compound name
thiomorpholine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

133.002 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.00928 121.6
[M+Na]+ 155.99122 128.4
[M-H]- 131.99472 121.9
[M+NH4]+ 151.03582 141.9
[M+K]+ 171.96516 124.5
[M+H-H2O]+ 115.99926 116.5
[M+HCOO]- 178.00020 129.9
[M+CH3COO]- 192.01585 165.6
[M+Na-2H]- 153.97667 123.0
[M]+ 133.00145 116.5
[M]- 133.00255 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