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]+ 232.13658 152.4
[M+Na]+ 254.11852 157.6
[M-H]- 230.12202 153.7
[M+NH4]+ 249.16312 171.5
[M+K]+ 270.09246 156.2
[M+H-H2O]+ 214.12656 146.6
[M+HCOO]- 276.12750 165.0
[M+CH3COO]- 290.14315 188.9
[M+Na-2H]- 252.10397 153.1
[M]+ 231.12875 153.7
[M]- 231.12985 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.