CID 18071808

4-[(4-hydroxypiperidin-1-yl)sulfonyl]benzoic acid

Structural Information

Molecular Formula
C12H15NO5S
SMILES
C1CN(CCC1O)S(=O)(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H15NO5S/c14-10-5-7-13(8-6-10)19(17,18)11-3-1-9(2-4-11)12(15)16/h1-4,10,14H,5-8H2,(H,15,16)
InChIKey
NTDJOCUDLXCASE-UHFFFAOYSA-N
Compound name
4-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

285.0671 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07438 160.4
[M+Na]+ 308.05632 169.7
[M+NH4]+ 303.10092 165.9
[M+K]+ 324.03026 164.9
[M-H]- 284.05982 160.2
[M+Na-2H]- 306.04177 164.3
[M]+ 285.06655 161.8
[M]- 285.06765 161.8
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

patents stripe