CID 9372

Beta-chloroethyldifurfurylamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

C1=COC(=C1)CN(CCCl)CC2=CC=CO2

InChI

InChI=1S/C12H14ClNO2/c13-5-6-14(9-11-3-1-7-15-11)10-12-4-2-8-16-12/h1-4,7-8H,5-6,9-10H2

InChIKey

RCBYQFCNGPNHTE-UHFFFAOYSA-N

Compound name

2-chloro-N,N-bis(furan-2-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.0713 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]+	240.078576	155.0
[M+Na]+	262.060518	163.3
[M-H]-	238.064024	164.3
[M+NH4]+	257.105123	174.4
[M+K]+	278.034458	162.3
[M+H-H2O]+	222.068560	149.1
[M+HCOO]-	284.069501	178.1
[M+CH3COO]-	298.085151	192.2
[M+Na-2H]-	260.045966	160.4
[M]+	239.07075142	162.8
[M]-	239.07184858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.