CID 75478255

2,2-diethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride

Structural Information

Molecular Formula
C8H17NO2S
SMILES
CCC1(CNCCS1(=O)=O)CC
InChI
InChI=1S/C8H17NO2S/c1-3-8(4-2)7-9-5-6-12(8,10)11/h9H,3-7H2,1-2H3
InChIKey
CMPUHVSGPDKAOX-UHFFFAOYSA-N
Compound name
2,2-diethyl-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.098 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10528 137.8
[M+Na]+ 214.08722 145.2
[M-H]- 190.09072 138.5
[M+NH4]+ 209.13182 159.9
[M+K]+ 230.06116 142.9
[M+H-H2O]+ 174.09526 133.8
[M+HCOO]- 236.09620 151.1
[M+CH3COO]- 250.11185 176.2
[M+Na-2H]- 212.07267 142.2
[M]+ 191.09745 136.7
[M]- 191.09855 136.7
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.