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]+	174.09134	135.2
[M+Na]+	196.07328	143.3
[M-H]-	172.07678	142.5
[M+NH4]+	191.11788	155.4
[M+K]+	212.04722	141.3
[M+H-H2O]+	156.08132	128.9
[M+HCOO]-	218.08226	161.2
[M+CH3COO]-	232.09791	180.2
[M+Na-2H]-	194.05873	142.0
[M]+	173.08351	134.8
[M]-	173.08461	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe