CID 116405642

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

Structural Information

Molecular Formula
C10H19NOS
SMILES
CCC(=O)CN1CCSC(C1)(C)C
InChI
InChI=1S/C10H19NOS/c1-4-9(12)7-11-5-6-13-10(2,3)8-11/h4-8H2,1-3H3
InChIKey
LHKYXMDUVAENPW-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylthiomorpholin-4-yl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11873 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12601 144.3
[M+Na]+ 224.10795 150.0
[M-H]- 200.11145 145.9
[M+NH4]+ 219.15255 164.7
[M+K]+ 240.08189 148.4
[M+H-H2O]+ 184.11599 138.9
[M+HCOO]- 246.11693 157.0
[M+CH3COO]- 260.13258 184.6
[M+Na-2H]- 222.09340 145.4
[M]+ 201.11818 143.9
[M]- 201.11928 143.9
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.