CID 11789888

72982-21-9

Structural Information

Molecular Formula

C₁₁H₈N₂O

SMILES

C1=CC=C(C=C1)C2=COC(=C2C#N)N

InChI

InChI=1S/C11H8N2O/c12-6-9-10(7-14-11(9)13)8-4-2-1-3-5-8/h1-5,7H,13H2

InChIKey

QNGBQONBZBPFQI-UHFFFAOYSA-N

Compound name

2-amino-4-phenylfuran-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 184.06366 Da
Monoisotopic Mass: 2.5
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]+	185.07094	142.4
[M+Na]+	207.05288	155.0
[M+NH4]+	202.09748	147.7
[M+K]+	223.02682	147.0
[M-H]-	183.05638	140.3
[M+Na-2H]-	205.03833	147.4
[M]+	184.06311	142.8
[M]-	184.06421	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe