CID 44524

2-furanbutylamine, n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

CN(C)CCCCC1=CC=CO1

InChI

InChI=1S/C10H17NO/c1-11(2)8-4-3-6-10-7-5-9-12-10/h5,7,9H,3-4,6,8H2,1-2H3

InChIKey

NSJSKFFZWZUPNJ-UHFFFAOYSA-N

Compound name

4-(furan-2-yl)-N,N-dimethylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 167.13101 Da
Monoisotopic Mass: 2.4
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]+	168.138286	139.2
[M+Na]+	190.120228	145.3
[M-H]-	166.123734	144.4
[M+NH4]+	185.164833	160.6
[M+K]+	206.094168	146.1
[M+H-H2O]+	150.128270	133.0
[M+HCOO]-	212.129211	164.9
[M+CH3COO]-	226.144861	184.8
[M+Na-2H]-	188.105676	144.9
[M]+	167.13046142	142.6
[M]-	167.13155858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe