CID 26954

N-(p-chloro-alpha-methylphenethyl)furfurylamine hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₆ClNO

SMILES

CC(CC1=CC=C(C=C1)Cl)NCC2=CC=CO2

InChI

InChI=1S/C14H16ClNO/c1-11(16-10-14-3-2-8-17-14)9-12-4-6-13(15)7-5-12/h2-8,11,16H,9-10H2,1H3

InChIKey

ZJIFKOUJJWZUTD-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-N-(furan-2-ylmethyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.09204 Da
Monoisotopic Mass: 3.4
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]+	250.099316	158.3
[M+Na]+	272.081258	165.4
[M-H]-	248.084764	165.3
[M+NH4]+	267.125863	176.4
[M+K]+	288.055198	161.5
[M+H-H2O]+	232.089300	151.8
[M+HCOO]-	294.090241	178.0
[M+CH3COO]-	308.105891	194.5
[M+Na-2H]-	270.066706	162.3
[M]+	249.09149142	161.3
[M]-	249.09258858	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.