CID 689853

889-29-2

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

COC1=CC=CC(=C1)N=CC2=CC=CC=C2O

InChI

InChI=1S/C14H13NO2/c1-17-13-7-4-6-12(9-13)15-10-11-5-2-3-8-14(11)16/h2-10,16H,1H3

InChIKey

PUORDCAAMKGOOK-UHFFFAOYSA-N

Compound name

2-[(3-methoxyphenyl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 227.09464 Da
Monoisotopic Mass: 3.1
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]+	228.101916	149.0
[M+Na]+	250.083858	157.0
[M-H]-	226.087364	156.1
[M+NH4]+	245.128463	166.9
[M+K]+	266.057798	153.5
[M+H-H2O]+	210.091900	141.5
[M+HCOO]-	272.092841	175.1
[M+CH3COO]-	286.108491	191.7
[M+Na-2H]-	248.069306	156.1
[M]+	227.09409142	150.3
[M]-	227.09518858	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe