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 151.5
[M+Na]+ 254.11852 156.7
[M-H]- 230.12202 157.1
[M+NH4]+ 249.16312 169.7
[M+K]+ 270.09246 157.4
[M+H-H2O]+ 214.12656 145.8
[M+HCOO]- 276.12750 163.1
[M+CH3COO]- 290.14315 186.0
[M+Na-2H]- 252.10397 152.9
[M]+ 231.12875 150.8
[M]- 231.12985 150.8
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.