CID 870752

3695-90-7

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=COC(=C1)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C8H6N2O2/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H2,10,11)/b6-4+

InChIKey

KWNPZKPESLVGOB-GQCTYLIASA-N

Compound name

(E)-2-cyano-3-(furan-2-yl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 162.04292 Da
Monoisotopic Mass: 0.7
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]+	163.05020	138.0
[M+Na]+	185.03214	146.8
[M+NH4]+	180.07674	141.4
[M+K]+	201.00608	141.3
[M-H]-	161.03564	132.2
[M+Na-2H]-	183.01759	139.1
[M]+	162.04237	136.4
[M]-	162.04347	136.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.