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]+ 188.11037 139.8
[M+Na]+ 210.09231 146.7
[M-H]- 186.09581 140.4
[M+NH4]+ 205.13691 160.4
[M+K]+ 226.06625 143.9
[M+H-H2O]+ 170.10035 135.0
[M+HCOO]- 232.10129 152.3
[M+CH3COO]- 246.11694 179.2
[M+Na-2H]- 208.07776 141.4
[M]+ 187.10254 138.1
[M]- 187.10364 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.