CID 693961

2-amino-5-phenyl-3-furonitrile

Structural Information

Molecular Formula

C₁₁H₈N₂O

SMILES

C1=CC=C(C=C1)C2=CC(=C(O2)N)C#N

InChI

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

InChIKey

UWTDTJWGYWUILP-UHFFFAOYSA-N

Compound name

2-amino-5-phenylfuran-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 91
Patents: 184.06366 Da
Monoisotopic Mass: 2.6
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

literature stripe

Patent stripe

patents stripe