CID 90640

[(4-methoxyphenyl)amino]acetonitrile

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

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

InChI

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

InChIKey

OWNQIZJEBGJLSW-UHFFFAOYSA-N

Compound name

2-(4-methoxyanilino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 162.07932 Da
Monoisotopic Mass: 1.7
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	136.6
[M+Na]+	185.06854	148.3
[M+NH4]+	180.11314	141.7
[M+K]+	201.04248	138.6
[M-H]-	161.07204	132.0
[M+Na-2H]-	183.05399	141.3
[M]+	162.07877	136.1
[M]-	162.07987	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe