CID 135741646

81998-07-4

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

CC1=CC(=NC=C1)C2=NC=CC(=C2O)C

InChI

InChI=1S/C12H12N2O/c1-8-3-5-13-10(7-8)11-12(15)9(2)4-6-14-11/h3-7,15H,1-2H3

InChIKey

NXRMIHXTXPXGME-UHFFFAOYSA-N

Compound name

4-methyl-2-(4-methyl-2-pyridinyl)pyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 200.09496 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]+	201.102236	143.6
[M+Na]+	223.084178	153.6
[M-H]-	199.087684	147.1
[M+NH4]+	218.128783	159.9
[M+K]+	239.058118	149.3
[M+H-H2O]+	183.092220	135.6
[M+HCOO]-	245.093161	164.7
[M+CH3COO]-	259.108811	184.2
[M+Na-2H]-	221.069626	150.2
[M]+	200.09441142	143.7
[M]-	200.09550858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe