CID 3924669

63671-68-1

Structural Information

Molecular Formula

C₁₃H₁₄N₂O

SMILES

C1=CC=C(C(=C1)CNCC2=CC=CC=N2)O

InChI

InChI=1S/C13H14N2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12/h1-8,14,16H,9-10H2

InChIKey

QKSKEROUBXANPB-UHFFFAOYSA-N

Compound name

2-[(pyridin-2-ylmethylamino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 17
Patents: 214.11061 Da
Monoisotopic Mass: 1.9
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]+	215.11789	148.4
[M+Na]+	237.09983	162.5
[M+NH4]+	232.14443	157.0
[M+K]+	253.07377	154.5
[M-H]-	213.10333	153.0
[M+Na-2H]-	235.08528	158.4
[M]+	214.11006	151.7
[M]-	214.11116	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe