CID 63876851

2-[(1-methanesulfonylpiperidin-4-yl)oxy]acetic acid

Structural Information

Molecular Formula
C8H15NO5S
SMILES
CS(=O)(=O)N1CCC(CC1)OCC(=O)O
InChI
InChI=1S/C8H15NO5S/c1-15(12,13)9-4-2-7(3-5-9)14-6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey
KNSDKXXTTGALNV-UHFFFAOYSA-N
Compound name
2-(1-methylsulfonylpiperidin-4-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0671 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07438 149.0
[M+Na]+ 260.05632 154.5
[M-H]- 236.05982 149.2
[M+NH4]+ 255.10092 164.7
[M+K]+ 276.03026 153.2
[M+H-H2O]+ 220.06436 143.1
[M+HCOO]- 282.06530 160.5
[M+CH3COO]- 296.08095 183.6
[M+Na-2H]- 258.04177 150.6
[M]+ 237.06655 149.5
[M]- 237.06765 149.5
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.