CID 11159518

4-(tert-butoxy)aniline

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC(C)(C)OC1=CC=C(C=C1)N

InChI

InChI=1S/C10H15NO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,11H2,1-3H3

InChIKey

NJLJXOXRYXXBOF-UHFFFAOYSA-N

Compound name

4-[(2-methylpropan-2-yl)oxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 240
Patents: 165.11537 Da
Monoisotopic Mass: 1.9
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]+	166.122646	136.3
[M+Na]+	188.104588	143.9
[M-H]-	164.108094	139.8
[M+NH4]+	183.149193	156.9
[M+K]+	204.078528	142.3
[M+H-H2O]+	148.112630	131.0
[M+HCOO]-	210.113571	159.6
[M+CH3COO]-	224.129221	181.3
[M+Na-2H]-	186.090036	143.1
[M]+	165.11482142	136.1
[M]-	165.11591858	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe