CID 103815

2,6-dimethylthiomorpholine

Structural Information

Molecular Formula
C6H13NS
SMILES
CC1CNCC(S1)C
InChI
InChI=1S/C6H13NS/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3
InChIKey
HEFKKYCXFOTNTB-UHFFFAOYSA-N
Compound name
2,6-dimethylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

155
Patents

131.07687 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.084146 126.2
[M+Na]+ 154.066088 132.6
[M-H]- 130.069594 126.8
[M+NH4]+ 149.110693 146.9
[M+K]+ 170.040028 130.3
[M+H-H2O]+ 114.074130 120.9
[M+HCOO]- 176.075071 139.3
[M+CH3COO]- 190.090721 168.4
[M+Na-2H]- 152.051536 128.4
[M]+ 131.07632142 122.0
[M]- 131.07741858 122.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe