CID 14988015

3,3-dimethylthiomorpholine

Structural Information

Molecular Formula
C6H13NS
SMILES
CC1(CSCCN1)C
InChI
InChI=1S/C6H13NS/c1-6(2)5-8-4-3-7-6/h7H,3-5H2,1-2H3
InChIKey
CQQZUNZROLXKHB-UHFFFAOYSA-N
Compound name
3,3-dimethylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

131.07687 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08415 126.0
[M+Na]+ 154.06609 132.2
[M-H]- 130.06959 126.5
[M+NH4]+ 149.11069 148.4
[M+K]+ 170.04003 130.4
[M+H-H2O]+ 114.07413 121.2
[M+HCOO]- 176.07507 139.1
[M+CH3COO]- 190.09072 166.9
[M+Na-2H]- 152.05154 130.1
[M]+ 131.07632 121.7
[M]- 131.07742 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