CID 11831311

1839849-49-8

Structural Information

Molecular Formula

C₁₄H₂₀N₂O

SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN

InChI

InChI=1S/C14H20N2O/c15-11-14(17)16-8-6-13(7-9-16)10-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2

InChIKey

KUKWWLMXEXGEDA-UHFFFAOYSA-N

Compound name

2-amino-1-(4-benzylpiperidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 232.15756 Da
Monoisotopic Mass: 1.5
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]+	233.164836	155.6
[M+Na]+	255.146778	159.3
[M-H]-	231.150284	159.2
[M+NH4]+	250.191383	171.1
[M+K]+	271.120718	155.8
[M+H-H2O]+	215.154820	147.2
[M+HCOO]-	277.155761	174.2
[M+CH3COO]-	291.171411	192.4
[M+Na-2H]-	253.132226	158.1
[M]+	232.15701142	149.6
[M]-	232.15810858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe