CID 115683955

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

Structural Information

Molecular Formula
C11H23NO2S
SMILES
CCOCC(CN1CCSC(C1)(C)C)O
InChI
InChI=1S/C11H23NO2S/c1-4-14-8-10(13)7-12-5-6-15-11(2,3)9-12/h10,13H,4-9H2,1-3H3
InChIKey
DTUGLVIHMWXHAT-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylthiomorpholin-4-yl)-3-ethoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.14494 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.15222 153.8
[M+Na]+ 256.13416 158.1
[M-H]- 232.13766 153.6
[M+NH4]+ 251.17876 172.1
[M+K]+ 272.10810 156.4
[M+H-H2O]+ 216.14220 148.1
[M+HCOO]- 278.14314 164.6
[M+CH3COO]- 292.15879 187.8
[M+Na-2H]- 254.11961 154.1
[M]+ 233.14439 154.0
[M]- 233.14549 154.0
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.