CID 20476625

2,2,6,6-tetramethylthiomorpholine

Structural Information

Molecular Formula
C8H17NS
SMILES
CC1(CNCC(S1)(C)C)C
InChI
InChI=1S/C8H17NS/c1-7(2)5-9-6-8(3,4)10-7/h9H,5-6H2,1-4H3
InChIKey
XRFLFOQCPQTYPB-UHFFFAOYSA-N
Compound name
2,2,6,6-tetramethylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

159.10817 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.115446 131.9
[M+Na]+ 182.097388 138.9
[M-H]- 158.100894 132.7
[M+NH4]+ 177.141993 155.4
[M+K]+ 198.071328 137.0
[M+H-H2O]+ 142.105430 128.0
[M+HCOO]- 204.106371 144.4
[M+CH3COO]- 218.122021 173.8
[M+Na-2H]- 180.082836 136.0
[M]+ 159.10762142 129.2
[M]- 159.10871858 129.2
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.