CID 317646

Dtxsid40419910

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

CC1=NC(=CC=C1)N=CC2=CC=CC=C2O

InChI

InChI=1S/C13H12N2O/c1-10-5-4-8-13(15-10)14-9-11-6-2-3-7-12(11)16/h2-9,16H,1H3

InChIKey

VERGMQGYQKKMCK-UHFFFAOYSA-N

Compound name

2-[(6-methyl-2-pyridinyl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 212.09496 Da
Monoisotopic Mass: 2.5
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]+	213.102236	145.9
[M+Na]+	235.084178	154.4
[M-H]-	211.087684	151.7
[M+NH4]+	230.128783	163.1
[M+K]+	251.058118	150.4
[M+H-H2O]+	195.092220	137.9
[M+HCOO]-	257.093161	170.9
[M+CH3COO]-	271.108811	189.3
[M+Na-2H]-	233.069626	153.6
[M]+	212.09441142	145.9
[M]-	212.09550858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe