CID 5276288

Akos000152056

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

CC1=CC(=C(C=C1)O)C(=O)NC2CCNCC2

InChI

InChI=1S/C13H18N2O2/c1-9-2-3-12(16)11(8-9)13(17)15-10-4-6-14-7-5-10/h2-3,8,10,14,16H,4-7H2,1H3,(H,15,17)

InChIKey

XYRUSUFWXOZPHJ-UHFFFAOYSA-N

Compound name

2-hydroxy-5-methyl-N-piperidin-4-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 234.13683 Da
Monoisotopic Mass: 2.7
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]+	235.144106	154.4
[M+Na]+	257.126048	158.5
[M-H]-	233.129554	156.3
[M+NH4]+	252.170653	168.8
[M+K]+	273.099988	154.5
[M+H-H2O]+	217.134090	146.8
[M+HCOO]-	279.135031	171.1
[M+CH3COO]-	293.150681	188.5
[M+Na-2H]-	255.111496	156.9
[M]+	234.13628142	147.2
[M]-	234.13737858	147.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.