CID 22476146

4-(aminomethyl)-2-methoxybenzonitrile

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

COC1=C(C=CC(=C1)CN)C#N

InChI

InChI=1S/C9H10N2O/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4H,5,10H2,1H3

InChIKey

ODJRWUOXUGLZHT-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-2-methoxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 162.07932 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]+	163.08660	135.6
[M+Na]+	185.06854	147.3
[M+NH4]+	180.11314	140.6
[M+K]+	201.04248	138.1
[M-H]-	161.07204	130.9
[M+Na-2H]-	183.05399	139.7
[M]+	162.07877	135.0
[M]-	162.07987	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe