CID 7537509

886457-56-3

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

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

InChI

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

InChIKey

TVKRLJUMZZXOHG-UHFFFAOYSA-N

Compound name

[4-(furan-2-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
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

No literature data available for this compound.

Patent stripe

patents stripe