CID 4738537

2-[(4-methoxyphenyl)amino]-2-methylpropanenitrile

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

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

InChI

InChI=1S/C11H14N2O/c1-11(2,8-12)13-9-4-6-10(14-3)7-5-9/h4-7,13H,1-3H3

InChIKey

JKMJJKBDBUNCSC-UHFFFAOYSA-N

Compound name

2-(4-methoxyanilino)-2-methylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.11061 Da
Monoisotopic Mass: 2.3
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]+	191.11789	146.0
[M+Na]+	213.09983	154.9
[M-H]-	189.10333	149.3
[M+NH4]+	208.14443	163.5
[M+K]+	229.07377	152.6
[M+H-H2O]+	173.10787	133.7
[M+HCOO]-	235.10881	165.8
[M+CH3COO]-	249.12446	198.6
[M+Na-2H]-	211.08528	152.4
[M]+	190.11006	141.8
[M]-	190.11116	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe