CID 19389149

3-(tert-butoxy)aniline

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

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

InChI

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

InChIKey

FUVDLLWBPFIARM-UHFFFAOYSA-N

Compound name

3-[(2-methylpropan-2-yl)oxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
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]+	166.12265	136.3
[M+Na]+	188.10459	143.9
[M-H]-	164.10809	139.8
[M+NH4]+	183.14919	156.9
[M+K]+	204.07853	142.3
[M+H-H2O]+	148.11263	131.0
[M+HCOO]-	210.11357	159.6
[M+CH3COO]-	224.12922	181.3
[M+Na-2H]-	186.09004	143.1
[M]+	165.11482	136.1
[M]-	165.11592	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe