CID 116405664

1-(2,2-dimethylthiomorpholin-4-yl)propan-2-one

Structural Information

Molecular Formula
C9H17NOS
SMILES
CC(=O)CN1CCSC(C1)(C)C
InChI
InChI=1S/C9H17NOS/c1-8(11)6-10-4-5-12-9(2,3)7-10/h4-7H2,1-3H3
InChIKey
NEOUQWZYIWATSX-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylthiomorpholin-4-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.10309 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11037 142.8
[M+Na]+ 210.09231 152.8
[M+NH4]+ 205.13691 152.8
[M+K]+ 226.06625 143.3
[M-H]- 186.09581 144.0
[M+Na-2H]- 208.07776 148.0
[M]+ 187.10254 145.0
[M]- 187.10364 145.0
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.