CID 3052688

3-thiomorpholinone, 5-ethyl-2-propyl-

Structural Information

Molecular Formula
C9H17NOS
SMILES
CCCC1C(=S)NC(CO1)CC
InChI
InChI=1S/C9H17NOS/c1-3-5-8-9(12)10-7(4-2)6-11-8/h7-8H,3-6H2,1-2H3,(H,10,12)
InChIKey
MHJLWQRGQUZCSB-UHFFFAOYSA-N
Compound name
5-ethyl-2-propylmorpholine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.10309 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.110366 141.4
[M+Na]+ 210.092308 147.7
[M-H]- 186.095814 142.5
[M+NH4]+ 205.136913 158.8
[M+K]+ 226.066248 145.4
[M+H-H2O]+ 170.100350 135.6
[M+HCOO]- 232.101291 153.2
[M+CH3COO]- 246.116941 179.6
[M+Na-2H]- 208.077756 142.4
[M]+ 187.10254142 139.9
[M]- 187.10363858 139.9
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.