CID 318454

4-benzylthiomorpholine 1,1-dioxide

Structural Information

Molecular Formula
C11H15NO2S
SMILES
C1CS(=O)(=O)CCN1CC2=CC=CC=C2
InChI
InChI=1S/C11H15NO2S/c13-15(14)8-6-12(7-9-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
KFAMTQFKYUXQKV-UHFFFAOYSA-N
Compound name
4-benzyl-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

91
Patents

225.08235 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08963 146.9
[M+Na]+ 248.07157 154.3
[M-H]- 224.07507 152.0
[M+NH4]+ 243.11617 166.0
[M+K]+ 264.04551 151.0
[M+H-H2O]+ 208.07961 140.0
[M+HCOO]- 270.08055 162.5
[M+CH3COO]- 284.09620 183.7
[M+Na-2H]- 246.05702 151.1
[M]+ 225.08180 145.7
[M]- 225.08290 145.7
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