CID 115683605

1599248-60-8

Structural Information

Molecular Formula
C11H21NO2S
SMILES
CCOC(=O)CCN1CCSC(C1)(C)C
InChI
InChI=1S/C11H21NO2S/c1-4-14-10(13)5-6-12-7-8-15-11(2,3)9-12/h4-9H2,1-3H3
InChIKey
JXFHWDQMWQZFAA-UHFFFAOYSA-N
Compound name
ethyl 3-(2,2-dimethylthiomorpholin-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1293 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.136576 152.4
[M+Na]+ 254.118518 157.6
[M-H]- 230.122024 153.7
[M+NH4]+ 249.163123 171.5
[M+K]+ 270.092458 156.2
[M+H-H2O]+ 214.126560 146.6
[M+HCOO]- 276.127501 165.0
[M+CH3COO]- 290.143151 188.9
[M+Na-2H]- 252.103966 153.1
[M]+ 231.12875142 153.7
[M]- 231.12984858 153.7
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.