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]+ 232.136576 151.5
[M+Na]+ 254.118518 156.7
[M-H]- 230.122024 157.1
[M+NH4]+ 249.163123 169.7
[M+K]+ 270.092458 157.4
[M+H-H2O]+ 214.126560 145.8
[M+HCOO]- 276.127501 163.1
[M+CH3COO]- 290.143151 186.0
[M+Na-2H]- 252.103966 152.9
[M]+ 231.12875142 150.8
[M]- 231.12984858 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.