CID 924569

N-(2-cyanophenyl)propanamide

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CCC(=O)NC1=CC=CC=C1C#N

InChI

InChI=1S/C10H10N2O/c1-2-10(13)12-9-6-4-3-5-8(9)7-11/h3-6H,2H2,1H3,(H,12,13)

InChIKey

PIBKRHDFKULILH-UHFFFAOYSA-N

Compound name

N-(2-cyanophenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 174.07932 Da
Monoisotopic Mass: 1.0
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	140.7
[M+Na]+	197.06854	152.0
[M+NH4]+	192.11314	145.4
[M+K]+	213.04248	142.7
[M-H]-	173.07204	135.7
[M+Na-2H]-	195.05399	144.7
[M]+	174.07877	140.0
[M]-	174.07987	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe