CID 70967

4-(dimethylamino)benzonitrile

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

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

InChI

InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3

InChIKey

JYMNQRQQBJIMCV-UHFFFAOYSA-N

Compound name

4-(dimethylamino)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 59
References: 2587
Patents: 146.0844 Da
Monoisotopic Mass: 2.2
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]+	147.09168	133.3
[M+Na]+	169.07362	145.6
[M+NH4]+	164.11822	139.1
[M+K]+	185.04756	135.9
[M-H]-	145.07712	129.5
[M+Na-2H]-	167.05907	138.6
[M]+	146.08385	133.2
[M]-	146.08495	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe