CID 54594398

1-(4-aminophenoxy)-2-methylpropan-2-ol

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC(C)(COC1=CC=C(C=C1)N)O

InChI

InChI=1S/C10H15NO2/c1-10(2,12)7-13-9-5-3-8(11)4-6-9/h3-6,12H,7,11H2,1-2H3

InChIKey

WVVILWRGONPTHM-UHFFFAOYSA-N

Compound name

1-(4-aminophenoxy)-2-methylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 181.11028 Da
Monoisotopic Mass: 0.8
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]+	182.11756	139.6
[M+Na]+	204.09950	150.3
[M+NH4]+	199.14410	147.3
[M+K]+	220.07344	145.5
[M-H]-	180.10300	140.9
[M+Na-2H]-	202.08495	145.5
[M]+	181.10973	141.4
[M]-	181.11083	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe