CID 64435207

2-methyl-3-phenyl-1lambda6-thiomorpholine-1,1-dione hydrochloride

Structural Information

Molecular Formula
C11H15NO2S
SMILES
CC1C(NCCS1(=O)=O)C2=CC=CC=C2
InChI
InChI=1S/C11H15NO2S/c1-9-11(10-5-3-2-4-6-10)12-7-8-15(9,13)14/h2-6,9,11-12H,7-8H2,1H3
InChIKey
XNVNYXGMWFZJBZ-UHFFFAOYSA-N
Compound name
2-methyl-3-phenyl-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.08235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08963 146.8
[M+Na]+ 248.07157 154.6
[M-H]- 224.07507 150.8
[M+NH4]+ 243.11617 165.4
[M+K]+ 264.04551 150.3
[M+H-H2O]+ 208.07961 140.5
[M+HCOO]- 270.08055 160.8
[M+CH3COO]- 284.09620 182.2
[M+Na-2H]- 246.05702 150.0
[M]+ 225.08180 144.2
[M]- 225.08290 144.2
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.