CID 738033

55330-52-4

Structural Information

Molecular Formula

C₈H₇N₃

SMILES

C1=CC=NC(=C1)C(=CC#N)N

InChI

InChI=1S/C8H7N3/c9-5-4-7(10)8-3-1-2-6-11-8/h1-4,6H,10H2

InChIKey

UUIKPAVVDPUTNH-UHFFFAOYSA-N

Compound name

3-amino-3-pyridin-2-ylprop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 145.064 Da
Monoisotopic Mass: 0.1
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]+	146.07128	135.1
[M+Na]+	168.05322	146.3
[M+NH4]+	163.09782	139.6
[M+K]+	184.02716	137.1
[M-H]-	144.05672	129.6
[M+Na-2H]-	166.03867	139.2
[M]+	145.06345	134.1
[M]-	145.06455	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe