CID 18002462

196204-01-0

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CNCCC1C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H15NO2/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2,(H,14,15)
InChIKey
XDCLOVOOEKUJBK-UHFFFAOYSA-N
Compound name
4-piperidin-4-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

153
Patents

205.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 146.2
[M+Na]+ 228.099498 150.5
[M-H]- 204.103004 147.9
[M+NH4]+ 223.144103 161.8
[M+K]+ 244.073438 146.8
[M+H-H2O]+ 188.107540 138.9
[M+HCOO]- 250.108481 162.2
[M+CH3COO]- 264.124131 179.8
[M+Na-2H]- 226.084946 149.5
[M]+ 205.10973142 138.9
[M]- 205.11082858 138.9
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