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 145.8
[M+Na]+ 228.10287 150.6
[M-H]- 204.10637 144.5
[M+NH4]+ 223.14747 164.5
[M+K]+ 244.07681 148.4
[M+H-H2O]+ 188.11091 140.9
[M+HCOO]- 250.11185 155.8
[M+CH3COO]- 264.12750 179.3
[M+Na-2H]- 226.08832 146.6
[M]+ 205.11310 143.4
[M]- 205.11420 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.