CID 50634

Benzoic acid, p-amino-, 3-piperidinopropyl ester, hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₂

SMILES

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

InChI

InChI=1S/C15H22N2O2/c16-14-7-5-13(6-8-14)15(18)19-12-4-11-17-9-2-1-3-10-17/h5-8H,1-4,9-12,16H2

InChIKey

MSCPGCHVXHFZFM-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylpropyl 4-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 262.16812 Da
Monoisotopic Mass: 2.8
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]+	263.175396	163.0
[M+Na]+	285.157338	166.1
[M-H]-	261.160844	166.4
[M+NH4]+	280.201943	177.1
[M+K]+	301.131278	163.0
[M+H-H2O]+	245.165380	154.1
[M+HCOO]-	307.166321	181.4
[M+CH3COO]-	321.181971	197.5
[M+Na-2H]-	283.142786	165.0
[M]+	262.16757142	158.7
[M]-	262.16866858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe