CID 490553

Phenol, 4-[4-[(1,2-dimethylpropyl)amino]phenoxy]-

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

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

InChI

InChI=1S/C17H21NO2/c1-12(2)13(3)18-14-4-8-16(9-5-14)20-17-10-6-15(19)7-11-17/h4-13,18-19H,1-3H3

InChIKey

VETJADGUGROVAI-UHFFFAOYSA-N

Compound name

4-[4-(3-methylbutan-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	164.7
[M+Na]+	294.146448	169.9
[M-H]-	270.149954	169.9
[M+NH4]+	289.191053	179.9
[M+K]+	310.120388	166.6
[M+H-H2O]+	254.154490	157.0
[M+HCOO]-	316.155431	186.0
[M+CH3COO]-	330.171081	201.5
[M+Na-2H]-	292.131896	167.2
[M]+	271.15668142	164.7
[M]-	271.15777858	164.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.