CID 95098

2,2-dimethylthiomorpholin-3-one

Structural Information

Molecular Formula
C6H11NOS
SMILES
CC1(C(=O)NCCS1)C
InChI
InChI=1S/C6H11NOS/c1-6(2)5(8)7-3-4-9-6/h3-4H2,1-2H3,(H,7,8)
InChIKey
HWPDXZVUBFSYIE-UHFFFAOYSA-N
Compound name
2,2-dimethylthiomorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

145.05614 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06342 130.0
[M+Na]+ 168.04536 140.5
[M+NH4]+ 163.08996 140.3
[M+K]+ 184.01930 131.2
[M-H]- 144.04886 131.1
[M+Na-2H]- 166.03081 135.7
[M]+ 145.05559 132.3
[M]- 145.05669 132.3
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

patents stripe