CID 3681498

3-[4-(piperidine-1-sulfonyl)phenyl]propanoic acid

Structural Information

Molecular Formula
C14H19NO4S
SMILES
C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O
InChI
InChI=1S/C14H19NO4S/c16-14(17)9-6-12-4-7-13(8-5-12)20(18,19)15-10-2-1-3-11-15/h4-5,7-8H,1-3,6,9-11H2,(H,16,17)
InChIKey
GXSQIIWCZQSTIN-UHFFFAOYSA-N
Compound name
3-(4-piperidin-1-ylsulfonylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1035 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11078 165.8
[M+Na]+ 320.09272 175.4
[M+NH4]+ 315.13732 171.9
[M+K]+ 336.06666 169.0
[M-H]- 296.09622 166.5
[M+Na-2H]- 318.07817 170.5
[M]+ 297.10295 167.6
[M]- 297.10405 167.6
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.