CID 490552

Phenol, 4-[4-[(1-methylbutyl)amino]phenoxy]-

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

CCCC(C)NC1=CC=C(C=C1)OC2=CC=C(C=C2)O

InChI

InChI=1S/C17H21NO2/c1-3-4-13(2)18-14-5-9-16(10-6-14)20-17-11-7-15(19)8-12-17/h5-13,18-19H,3-4H2,1-2H3

InChIKey

PDOMTBJSRLYXOM-UHFFFAOYSA-N

Compound name

4-[4-(pentan-2-ylamino)phenoxy]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 271.15723 Da
Monoisotopic Mass: 4.8
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]+	272.164506	164.5
[M+Na]+	294.146448	169.9
[M-H]-	270.149954	169.6
[M+NH4]+	289.191053	179.7
[M+K]+	310.120388	166.0
[M+H-H2O]+	254.154490	156.6
[M+HCOO]-	316.155431	186.8
[M+CH3COO]-	330.171081	200.6
[M+Na-2H]-	292.131896	168.1
[M]+	271.15668142	165.0
[M]-	271.15777858	165.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.