CID 91883279

5-amino-2-ethylbenzonitrile hydrochloride

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

CCC1=C(C=C(C=C1)N)C#N

InChI

InChI=1S/C9H10N2/c1-2-7-3-4-9(11)5-8(7)6-10/h3-5H,2,11H2,1H3

InChIKey

TZXREUONMLDCFV-UHFFFAOYSA-N

Compound name

5-amino-2-ethylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 146.0844 Da
Monoisotopic Mass: 1.8
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	132.8
[M+Na]+	169.07362	144.9
[M+NH4]+	164.11822	138.3
[M+K]+	185.04756	135.3
[M-H]-	145.07712	128.6
[M+Na-2H]-	167.05907	137.3
[M]+	146.08385	132.5
[M]-	146.08495	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe