CID 62051958

5-(thiomorpholin-4-yl)pentan-2-one

Structural Information

Molecular Formula
C9H17NOS
SMILES
CC(=O)CCCN1CCSCC1
InChI
InChI=1S/C9H17NOS/c1-9(11)3-2-4-10-5-7-12-8-6-10/h2-8H2,1H3
InChIKey
YSLQGWVHUFUBFC-UHFFFAOYSA-N
Compound name
5-thiomorpholin-4-ylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.10309 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11037 142.5
[M+Na]+ 210.09231 152.1
[M+NH4]+ 205.13691 151.1
[M+K]+ 226.06625 144.0
[M-H]- 186.09581 143.7
[M+Na-2H]- 208.07776 146.2
[M]+ 187.10254 144.5
[M]- 187.10364 144.5
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.