CID 86260350

926319-54-2

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

CC(=O)NC(C)(C)CC1=CC=C(C=C1)OC

InChI

InChI=1S/C13H19NO2/c1-10(15)14-13(2,3)9-11-5-7-12(16-4)8-6-11/h5-8H,9H2,1-4H3,(H,14,15)

InChIKey

DDQHQQRZYRDMQX-UHFFFAOYSA-N

Compound name

N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 221.14159 Da
Monoisotopic Mass: 2.1
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]+	222.14887	151.5
[M+Na]+	244.13081	157.8
[M-H]-	220.13431	155.1
[M+NH4]+	239.17541	169.9
[M+K]+	260.10475	156.3
[M+H-H2O]+	204.13885	145.5
[M+HCOO]-	266.13979	173.9
[M+CH3COO]-	280.15544	193.1
[M+Na-2H]-	242.11626	156.7
[M]+	221.14104	153.5
[M]-	221.14214	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe