CID 115773090

3-(2,2-dimethylthiomorpholin-4-yl)propane-1,2-diol

Structural Information

Molecular Formula
C9H19NO2S
SMILES
CC1(CN(CCS1)CC(CO)O)C
InChI
InChI=1S/C9H19NO2S/c1-9(2)7-10(3-4-13-9)5-8(12)6-11/h8,11-12H,3-7H2,1-2H3
InChIKey
IPYRIXTZJAACKF-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylthiomorpholin-4-yl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11365 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12093 146.2
[M+Na]+ 228.10287 154.6
[M+NH4]+ 223.14747 155.1
[M+K]+ 244.07681 146.4
[M-H]- 204.10637 146.1
[M+Na-2H]- 226.08832 150.0
[M]+ 205.11310 147.7
[M]- 205.11420 147.7
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

No patent data available for this compound.