CID 649046

632329-79-4

Structural Information

Molecular Formula

C₁₃H₁₄N₂O

SMILES

CC1=CC(=C(C=C1)O)CNC2=CC=CC=N2

InChI

InChI=1S/C13H14N2O/c1-10-5-6-12(16)11(8-10)9-15-13-4-2-3-7-14-13/h2-8,16H,9H2,1H3,(H,14,15)

InChIKey

XXXXITSFOHPNRC-UHFFFAOYSA-N

Compound name

4-methyl-2-[(pyridin-2-ylamino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 214.11061 Da
Monoisotopic Mass: 2.7
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]+	215.117886	147.1
[M+Na]+	237.099828	154.8
[M-H]-	213.103334	151.4
[M+NH4]+	232.144433	163.5
[M+K]+	253.073768	150.4
[M+H-H2O]+	197.107870	139.2
[M+HCOO]-	259.108811	170.3
[M+CH3COO]-	273.124461	188.2
[M+Na-2H]-	235.085276	154.4
[M]+	214.11006142	146.0
[M]-	214.11115858	146.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.