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 160.5
[M+Na]+ 308.05632 166.1
[M-H]- 284.05982 162.8
[M+NH4]+ 303.10092 173.4
[M+K]+ 324.03026 162.6
[M+H-H2O]+ 268.06436 153.9
[M+HCOO]- 330.06530 170.9
[M+CH3COO]- 344.08095 190.4
[M+Na-2H]- 306.04177 162.0
[M]+ 285.06655 158.5
[M]- 285.06765 158.5
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

patents stripe