CID 116405493

2378506-58-0

Structural Information

Molecular Formula
C12H23NO2S
SMILES
CC1(CN(CCS1)CCCCCC(=O)O)C
InChI
InChI=1S/C12H23NO2S/c1-12(2)10-13(8-9-16-12)7-5-3-4-6-11(14)15/h3-10H2,1-2H3,(H,14,15)
InChIKey
QLDOZSJFYDPPED-UHFFFAOYSA-N
Compound name
6-(2,2-dimethylthiomorpholin-4-yl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14494 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.15222 158.6
[M+Na]+ 268.13416 166.9
[M+NH4]+ 263.17876 167.1
[M+K]+ 284.10810 157.6
[M-H]- 244.13766 158.6
[M+Na-2H]- 266.11961 162.1
[M]+ 245.14439 160.1
[M]- 245.14549 160.1
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.