CID 764599

22090-24-0

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CCN(CC1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H15NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
InChIKey
DGJNUESQBVPXAY-UHFFFAOYSA-N
Compound name
4-piperidin-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

324
Patents

205.11028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.5
[M+Na]+ 228.09950 158.5
[M+NH4]+ 223.14410 154.7
[M+K]+ 244.07344 152.3
[M-H]- 204.10300 149.4
[M+Na-2H]- 226.08495 153.4
[M]+ 205.10973 148.9
[M]- 205.11083 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe