CID 18617591

281234-93-3

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

C1CN(CCC1O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H15NO3/c14-11-5-7-13(8-6-11)10-3-1-9(2-4-10)12(15)16/h1-4,11,14H,5-8H2,(H,15,16)

InChIKey

SZZFHKZWXOEDBA-UHFFFAOYSA-N

Compound name

4-(4-hydroxypiperidin-1-yl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 221.1052 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.112476	148.9
[M+Na]+	244.094418	154.1
[M-H]-	220.097924	151.1
[M+NH4]+	239.139023	164.1
[M+K]+	260.068358	151.0
[M+H-H2O]+	204.102460	141.6
[M+HCOO]-	266.103401	165.1
[M+CH3COO]-	280.119051	183.2
[M+Na-2H]-	242.079866	151.6
[M]+	221.10465142	143.6
[M]-	221.10574858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe