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]+ 234.152216 153.8
[M+Na]+ 256.134158 158.1
[M-H]- 232.137664 153.6
[M+NH4]+ 251.178763 172.1
[M+K]+ 272.108098 156.4
[M+H-H2O]+ 216.142200 148.1
[M+HCOO]- 278.143141 164.6
[M+CH3COO]- 292.158791 187.8
[M+Na-2H]- 254.119606 154.1
[M]+ 233.14439142 154.0
[M]- 233.14548858 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.