CID 764599

4-(piperidin-1-yl)benzoic acid

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

329
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 145.6
[M+Na]+ 228.09950 150.4
[M-H]- 204.10300 148.8
[M+NH4]+ 223.14410 161.9
[M+K]+ 244.07344 147.5
[M+H-H2O]+ 188.10754 138.0
[M+HCOO]- 250.10848 163.1
[M+CH3COO]- 264.12413 182.3
[M+Na-2H]- 226.08495 149.4
[M]+ 205.10973 140.2
[M]- 205.11083 140.2
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