CID 12300332

3-cyano-3-phenylpropanamide

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

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

InChI

InChI=1S/C10H10N2O/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6H2,(H2,12,13)

InChIKey

OVGVPADZHRYCLV-UHFFFAOYSA-N

Compound name

3-cyano-3-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 174.07932 Da
Monoisotopic Mass: 0.5
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]+	175.08660	142.0
[M+Na]+	197.06854	152.3
[M+NH4]+	192.11314	146.4
[M+K]+	213.04248	143.7
[M-H]-	173.07204	136.6
[M+Na-2H]-	195.05399	145.3
[M]+	174.07877	140.9
[M]-	174.07987	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe