CID 19425061

2,2-dimethylthiomorpholine

Structural Information

Molecular Formula
C6H13NS
SMILES
CC1(CNCCS1)C
InChI
InChI=1S/C6H13NS/c1-6(2)5-7-3-4-8-6/h7H,3-5H2,1-2H3
InChIKey
FUGFMGKHXKOFDJ-UHFFFAOYSA-N
Compound name
2,2-dimethylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

131.07687 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.084146 126.0
[M+Na]+ 154.066088 132.2
[M-H]- 130.069594 126.5
[M+NH4]+ 149.110693 148.4
[M+K]+ 170.040028 130.4
[M+H-H2O]+ 114.074130 121.2
[M+HCOO]- 176.075071 139.1
[M+CH3COO]- 190.090721 166.9
[M+Na-2H]- 152.051536 130.1
[M]+ 131.07632142 121.7
[M]- 131.07741858 121.7
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