CID 115683601

1596616-95-3

Structural Information

Molecular Formula
C10H19NO2S
SMILES
CC1(CN(CCS1)CCC(=O)OC)C
InChI
InChI=1S/C10H19NO2S/c1-10(2)8-11(6-7-14-10)5-4-9(12)13-3/h4-8H2,1-3H3
InChIKey
AODZGNVORZGUJT-UHFFFAOYSA-N
Compound name
methyl 3-(2,2-dimethylthiomorpholin-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11365 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12093 148.0
[M+Na]+ 240.10287 153.7
[M-H]- 216.10637 149.6
[M+NH4]+ 235.14747 167.8
[M+K]+ 256.07681 152.6
[M+H-H2O]+ 200.11091 142.4
[M+HCOO]- 262.11185 161.0
[M+CH3COO]- 276.12750 185.9
[M+Na-2H]- 238.08832 149.2
[M]+ 217.11310 149.0
[M]- 217.11420 149.0
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.