CID 490550

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

Structural Information

Molecular Formula

C₁₅H₁₇NO₂

SMILES

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

InChI

InChI=1S/C15H17NO2/c1-11(2)16-12-3-7-14(8-4-12)18-15-9-5-13(17)6-10-15/h3-11,16-17H,1-2H3

InChIKey

VTNOQHCNCWVWKS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 243.12593 Da
Monoisotopic Mass: 3.9
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]+	244.133206	155.2
[M+Na]+	266.115148	161.6
[M-H]-	242.118654	160.8
[M+NH4]+	261.159753	171.7
[M+K]+	282.089088	158.2
[M+H-H2O]+	226.123190	147.8
[M+HCOO]-	288.124131	178.3
[M+CH3COO]-	302.139781	194.6
[M+Na-2H]-	264.100596	160.0
[M]+	243.12538142	155.1
[M]-	243.12647858	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe