CID 317647

21951-36-0

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

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

InChI

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

InChIKey

XCRFLWQHRLBXSU-UHFFFAOYSA-N

Compound name

2-[(4-methylpyridin-2-yl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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]+	213.10224	147.1
[M+Na]+	235.08418	162.2
[M+NH4]+	230.12878	155.8
[M+K]+	251.05812	154.1
[M-H]-	211.08768	152.0
[M+Na-2H]-	233.06963	157.4
[M]+	212.09441	150.7
[M]-	212.09551	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe