CID 269972

52537-88-9

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

COC1=CC=C(C=C1)NCC2=CC=CC=C2O

InChI

InChI=1S/C14H15NO2/c1-17-13-8-6-12(7-9-13)15-10-11-4-2-3-5-14(11)16/h2-9,15-16H,10H2,1H3

InChIKey

HLFHQRSQVWQRJY-UHFFFAOYSA-N

Compound name

2-[(4-methoxyanilino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 47
Patents: 229.11028 Da
Monoisotopic Mass: 3.0
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]+	230.11756	151.7
[M+Na]+	252.09950	165.7
[M+NH4]+	247.14410	160.4
[M+K]+	268.07344	158.0
[M-H]-	228.10300	156.7
[M+Na-2H]-	250.08495	161.2
[M]+	229.10973	155.2
[M]-	229.11083	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe