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]+ 206.120926 145.8
[M+Na]+ 228.102868 150.6
[M-H]- 204.106374 144.5
[M+NH4]+ 223.147473 164.5
[M+K]+ 244.076808 148.4
[M+H-H2O]+ 188.110910 140.9
[M+HCOO]- 250.111851 155.8
[M+CH3COO]- 264.127501 179.3
[M+Na-2H]- 226.088316 146.6
[M]+ 205.11310142 143.4
[M]- 205.11419858 143.4
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.