CID 131179282

2-(methylsulfanyl)-1-(thiomorpholin-4-yl)ethan-1-one

Structural Information

Molecular Formula
C7H13NOS2
SMILES
CSCC(=O)N1CCSCC1
InChI
InChI=1S/C7H13NOS2/c1-10-6-7(9)8-2-4-11-5-3-8/h2-6H2,1H3
InChIKey
LINQAKMOPHVWFZ-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-1-thiomorpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.04385 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05113 138.1
[M+Na]+ 214.03307 143.5
[M-H]- 190.03657 139.3
[M+NH4]+ 209.07767 156.7
[M+K]+ 230.00701 140.8
[M+H-H2O]+ 174.04111 132.0
[M+HCOO]- 236.04205 146.1
[M+CH3COO]- 250.05770 179.2
[M+Na-2H]- 212.01852 137.7
[M]+ 191.04330 136.6
[M]- 191.04440 136.6
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.