CID 11993871

(5-phenylfuran-2-yl)methanamine

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

C1=CC=C(C=C1)C2=CC=C(O2)CN

InChI

InChI=1S/C11H11NO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8,12H2

InChIKey

HQHHWOJYOUTZHZ-UHFFFAOYSA-N

Compound name

(5-phenylfuran-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 173.08406 Da
Monoisotopic Mass: 1.5
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]+	174.091336	135.2
[M+Na]+	196.073278	143.3
[M-H]-	172.076784	142.5
[M+NH4]+	191.117883	155.4
[M+K]+	212.047218	141.3
[M+H-H2O]+	156.081320	128.9
[M+HCOO]-	218.082261	161.2
[M+CH3COO]-	232.097911	180.2
[M+Na-2H]-	194.058726	142.0
[M]+	173.08351142	134.8
[M]-	173.08460858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe