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]+ 188.110366 140.0
[M+Na]+ 210.092308 146.1
[M-H]- 186.095814 141.8
[M+NH4]+ 205.136913 160.9
[M+K]+ 226.066248 144.8
[M+H-H2O]+ 170.100350 134.7
[M+HCOO]- 232.101291 153.0
[M+CH3COO]- 246.116941 181.6
[M+Na-2H]- 208.077756 141.6
[M]+ 187.10254142 139.2
[M]- 187.10363858 139.2
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.