CID 777717

359878-92-5

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

CN1CCC(CC1)NCC2=CC=CO2

InChI

InChI=1S/C11H18N2O/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11/h2-3,8,10,12H,4-7,9H2,1H3

InChIKey

ZJRROMOOCRNAPK-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 194.1419 Da
Monoisotopic Mass: 1.0
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]+	195.149176	144.0
[M+Na]+	217.131118	148.8
[M-H]-	193.134624	149.1
[M+NH4]+	212.175723	162.0
[M+K]+	233.105058	147.7
[M+H-H2O]+	177.139160	136.4
[M+HCOO]-	239.140101	164.8
[M+CH3COO]-	253.155751	184.5
[M+Na-2H]-	215.116566	148.6
[M]+	194.14135142	140.7
[M]-	194.14244858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe