CID 56840274

865589-97-5

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

C1=CC(=CC(=C1)C2=CC=C(C=C2)O)CN

InChI

InChI=1S/C13H13NO/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8,15H,9,14H2

InChIKey

AMPBOCAQBJUJBP-UHFFFAOYSA-N

Compound name

4-[3-(aminomethyl)phenyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 69
Patents: 199.09972 Da
Monoisotopic Mass: 2.1
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]+	200.106996	142.9
[M+Na]+	222.088938	150.7
[M-H]-	198.092444	148.3
[M+NH4]+	217.133543	161.1
[M+K]+	238.062878	146.2
[M+H-H2O]+	182.096980	136.2
[M+HCOO]-	244.097921	166.9
[M+CH3COO]-	258.113571	185.0
[M+Na-2H]-	220.074386	149.1
[M]+	199.09917142	140.4
[M]-	199.10026858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe