CID 18116

Furfurylamphetamine

Structural Information

Molecular Formula

C₁₄H₁₇NO

SMILES

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

InChI

InChI=1S/C14H17NO/c1-12(10-13-6-3-2-4-7-13)15-11-14-8-5-9-16-14/h2-9,12,15H,10-11H2,1H3

InChIKey

XWWSVBIGONHVQI-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 215.13101 Da
Monoisotopic Mass: 2.8
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]+	216.13829	149.9
[M+Na]+	238.12023	155.4
[M-H]-	214.12373	156.9
[M+NH4]+	233.16483	168.3
[M+K]+	254.09417	153.5
[M+H-H2O]+	198.12827	142.8
[M+HCOO]-	260.12921	174.4
[M+CH3COO]-	274.14486	189.6
[M+Na-2H]-	236.10568	155.4
[M]+	215.13046	150.5
[M]-	215.13156	150.5

Literature stripe

literature stripe

Patent stripe

patents stripe