CID 116404632

1-(2,2-dimethylthiomorpholin-4-yl)-3-(methylamino)propan-2-ol

Structural Information

Molecular Formula
C10H22N2OS
SMILES
CC1(CN(CCS1)CC(CNC)O)C
InChI
InChI=1S/C10H22N2OS/c1-10(2)8-12(4-5-14-10)7-9(13)6-11-3/h9,11,13H,4-8H2,1-3H3
InChIKey
MYRBRJJVHMZSMK-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylthiomorpholin-4-yl)-3-(methylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.14528 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15256 149.6
[M+Na]+ 241.13450 153.6
[M-H]- 217.13800 149.4
[M+NH4]+ 236.17910 168.2
[M+K]+ 257.10844 151.5
[M+H-H2O]+ 201.14254 143.9
[M+HCOO]- 263.14348 161.5
[M+CH3COO]- 277.15913 187.7
[M+Na-2H]- 239.11995 150.8
[M]+ 218.14473 147.2
[M]- 218.14583 147.2
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.