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]+ 226.089626 146.8
[M+Na]+ 248.071568 154.6
[M-H]- 224.075074 150.8
[M+NH4]+ 243.116173 165.4
[M+K]+ 264.045508 150.3
[M+H-H2O]+ 208.079610 140.5
[M+HCOO]- 270.080551 160.8
[M+CH3COO]- 284.096201 182.2
[M+Na-2H]- 246.057016 150.0
[M]+ 225.08180142 144.2
[M]- 225.08289858 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.