CID 115683962

1-(2,2-dimethylthiomorpholin-4-yl)-3-methoxypropan-2-ol

Structural Information

Molecular Formula
C10H21NO2S
SMILES
CC1(CN(CCS1)CC(COC)O)C
InChI
InChI=1S/C10H21NO2S/c1-10(2)8-11(4-5-14-10)6-9(12)7-13-3/h9,12H,4-8H2,1-3H3
InChIKey
PLJJYRXGLYVORG-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylthiomorpholin-4-yl)-3-methoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.1293 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13658 150.4
[M+Na]+ 242.11852 159.2
[M+NH4]+ 237.16312 159.6
[M+K]+ 258.09246 150.5
[M-H]- 218.12202 150.8
[M+Na-2H]- 240.10397 154.6
[M]+ 219.12875 152.2
[M]- 219.12985 152.2
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.