CID 51072229

4-(piperidin-4-yloxy)benzoic acid hydrochloride

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1CNCCC1OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H15NO3/c14-12(15)9-1-3-10(4-2-9)16-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2,(H,14,15)
InChIKey
XQXZKPIMWKGLGO-UHFFFAOYSA-N
Compound name
4-piperidin-4-yloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

221.1052 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 149.0
[M+Na]+ 244.09442 153.2
[M-H]- 220.09792 150.7
[M+NH4]+ 239.13902 163.8
[M+K]+ 260.06836 150.1
[M+H-H2O]+ 204.10246 141.4
[M+HCOO]- 266.10340 165.2
[M+CH3COO]- 280.11905 182.0
[M+Na-2H]- 242.07987 152.4
[M]+ 221.10465 143.2
[M]- 221.10575 143.2
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