CID 5744389

Win 2259

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₃

SMILES

C1CCN(CC1)CCCOC(=O)C2=C(C=C(C=C2)N)O

InChI

InChI=1S/C15H22N2O3/c16-12-5-6-13(14(18)11-12)15(19)20-10-4-9-17-7-2-1-3-8-17/h5-6,11,18H,1-4,7-10,16H2

InChIKey

IEZGOQOQLXAHAE-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylpropyl 4-amino-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 278.16306 Da
Monoisotopic Mass: 2.5
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]+	279.170336	166.2
[M+Na]+	301.152278	169.6
[M-H]-	277.155784	168.5
[M+NH4]+	296.196883	179.1
[M+K]+	317.126218	166.3
[M+H-H2O]+	261.160320	157.6
[M+HCOO]-	323.161261	183.3
[M+CH3COO]-	337.176911	198.5
[M+Na-2H]-	299.137726	167.1
[M]+	278.16251142	161.9
[M]-	278.16360858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe