CID 104580

1-(n-(2-furylmethyl)glycyl)-2,2,6,6-tetramethylpiperidine

Structural Information

Molecular Formula

C₁₆H₂₆N₂O₂

SMILES

CC1(CCCC(N1CC(=O)NCC2=CC=CO2)(C)C)C

InChI

InChI=1S/C16H26N2O2/c1-15(2)8-6-9-16(3,4)18(15)12-14(19)17-11-13-7-5-10-20-13/h5,7,10H,6,8-9,11-12H2,1-4H3,(H,17,19)

InChIKey

QXWWEACWIMHXFM-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.19943 Da
Monoisotopic Mass: 2.3
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]+	279.206706	165.6
[M+Na]+	301.188648	171.2
[M-H]-	277.192154	171.1
[M+NH4]+	296.233253	184.5
[M+K]+	317.162588	170.0
[M+H-H2O]+	261.196690	159.2
[M+HCOO]-	323.197631	184.3
[M+CH3COO]-	337.213281	201.5
[M+Na-2H]-	299.174096	168.4
[M]+	278.19888142	165.3
[M]-	278.19997858	165.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.