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 140.0
[M+Na]+ 210.09231 146.1
[M-H]- 186.09581 141.8
[M+NH4]+ 205.13691 160.9
[M+K]+ 226.06625 144.8
[M+H-H2O]+ 170.10035 134.7
[M+HCOO]- 232.10129 153.0
[M+CH3COO]- 246.11694 181.6
[M+Na-2H]- 208.07776 141.6
[M]+ 187.10254 139.2
[M]- 187.10364 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.