CID 16785864

953731-11-8

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

C1CCN(C(C1)CCO)C(=O)C2=CC=CC=C2N

InChI

InChI=1S/C14H20N2O2/c15-13-7-2-1-6-12(13)14(18)16-9-4-3-5-11(16)8-10-17/h1-2,6-7,11,17H,3-5,8-10,15H2

InChIKey

QJMHDTUHGCVJLN-UHFFFAOYSA-N

Compound name

(2-aminophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 248.15248 Da
Monoisotopic Mass: 1.8
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]+	249.159756	159.1
[M+Na]+	271.141698	163.1
[M-H]-	247.145204	161.7
[M+NH4]+	266.186303	173.4
[M+K]+	287.115638	159.4
[M+H-H2O]+	231.149740	151.0
[M+HCOO]-	293.150681	176.3
[M+CH3COO]-	307.166331	193.3
[M+Na-2H]-	269.127146	160.4
[M]+	248.15193142	153.0
[M]-	248.15302858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe