CID 3052682

3-thiomorpholinone, 2,2-diethyl-5,5-dimethyl-

Structural Information

Molecular Formula
C10H19NOS
SMILES
CCC1(C(=S)NC(CO1)(C)C)CC
InChI
InChI=1S/C10H19NOS/c1-5-10(6-2)8(13)11-9(3,4)7-12-10/h5-7H2,1-4H3,(H,11,13)
InChIKey
QPXVNDYYYLFPMP-UHFFFAOYSA-N
Compound name
2,2-diethyl-5,5-dimethylmorpholine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11873 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12601 140.6
[M+Na]+ 224.10795 148.0
[M-H]- 200.11145 142.1
[M+NH4]+ 219.15255 161.5
[M+K]+ 240.08189 146.4
[M+H-H2O]+ 184.11599 136.6
[M+HCOO]- 246.11693 152.1
[M+CH3COO]- 260.13258 182.0
[M+Na-2H]- 222.09340 144.4
[M]+ 201.11818 140.4
[M]- 201.11928 140.4
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.