CID 15576825

2-(phenylamino)propanenitrile

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

CC(C#N)NC1=CC=CC=C1

InChI

InChI=1S/C9H10N2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,11H,1H3

InChIKey

OBJMWYAZGBFFNS-UHFFFAOYSA-N

Compound name

2-anilinopropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 311
Patents: 146.0844 Da
Monoisotopic Mass: 2.1
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]+	147.091676	133.7
[M+Na]+	169.073618	142.2
[M-H]-	145.077124	136.8
[M+NH4]+	164.118223	152.5
[M+K]+	185.047558	139.5
[M+H-H2O]+	129.081660	121.3
[M+HCOO]-	191.082601	154.5
[M+CH3COO]-	205.098251	190.8
[M+Na-2H]-	167.059066	140.2
[M]+	146.08385142	127.2
[M]-	146.08494858	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe