CID 4173113

N-(2-furylmethyl)hexanamide

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CCCCCC(=O)NCC1=CC=CO1

InChI

InChI=1S/C11H17NO2/c1-2-3-4-7-11(13)12-9-10-6-5-8-14-10/h5-6,8H,2-4,7,9H2,1H3,(H,12,13)

InChIKey

VUUQSNGVSRGQSZ-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)hexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 195.12593 Da
Monoisotopic Mass: 2.0
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]+	196.13321	146.1
[M+Na]+	218.11515	155.5
[M+NH4]+	213.15975	153.5
[M+K]+	234.08909	151.6
[M-H]-	194.11865	148.5
[M+Na-2H]-	216.10060	150.1
[M]+	195.12538	147.8
[M]-	195.12648	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe