CID 230856

4481-51-0

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

C1=CC=C(C(=C1)CNCC2=CC=CC=C2O)O

InChI

InChI=1S/C14H15NO2/c16-13-7-3-1-5-11(13)9-15-10-12-6-2-4-8-14(12)17/h1-8,15-17H,9-10H2

InChIKey

ARMZYJYJGIRLRX-UHFFFAOYSA-N

Compound name

2-[[(2-hydroxyphenyl)methylamino]methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 59
Patents: 229.11028 Da
Monoisotopic Mass: 2.6
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	152.1
[M+Na]+	252.09950	165.6
[M+NH4]+	247.14410	160.5
[M+K]+	268.07344	158.2
[M-H]-	228.10300	156.6
[M+Na-2H]-	250.08495	161.0
[M]+	229.10973	155.3
[M]-	229.11083	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe