CID 95535

3-thiomorpholinone, 5,5-dimethyl-2-propyl-

Structural Information

Molecular Formula
C9H17NOS
SMILES
CCCC1C(=O)NC(CS1)(C)C
InChI
InChI=1S/C9H17NOS/c1-4-5-7-8(11)10-9(2,3)6-12-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKey
FYMIKCFMJOMLNE-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-propylthiomorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

187.10309 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.110366 139.8
[M+Na]+ 210.092308 146.7
[M-H]- 186.095814 140.4
[M+NH4]+ 205.136913 160.4
[M+K]+ 226.066248 143.9
[M+H-H2O]+ 170.100350 135.0
[M+HCOO]- 232.101291 152.3
[M+CH3COO]- 246.116941 179.2
[M+Na-2H]- 208.077756 141.4
[M]+ 187.10254142 138.1
[M]- 187.10363858 138.1
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

No patent data available for this compound.