CID 145867699

4-[2-(1,3-dioxolan-2-yl)ethyl]-2,2-dimethylthiomorpholine

Structural Information

Molecular Formula
C11H21NO2S
SMILES
CC1(CN(CCS1)CCC2OCCO2)C
InChI
InChI=1S/C11H21NO2S/c1-11(2)9-12(5-8-15-11)4-3-10-13-6-7-14-10/h10H,3-9H2,1-2H3
InChIKey
LZHVKKBIZBTFMR-UHFFFAOYSA-N
Compound name
4-[2-(1,3-dioxolan-2-yl)ethyl]-2,2-dimethylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1293 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13658 152.9
[M+Na]+ 254.11852 162.3
[M+NH4]+ 249.16312 163.0
[M+K]+ 270.09246 155.0
[M-H]- 230.12202 158.1
[M+Na-2H]- 252.10397 157.2
[M]+ 231.12875 156.2
[M]- 231.12985 156.2
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.