CID 13688861

99765-49-8

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

CC1=NC(=CC=C1)C(=O)C2=CC=CC(=N2)C

InChI

InChI=1S/C13H12N2O/c1-9-5-3-7-11(14-9)13(16)12-8-4-6-10(2)15-12/h3-8H,1-2H3

InChIKey

HZOBODSAPPCATO-UHFFFAOYSA-N

Compound name

bis(6-methylpyridin-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 212.09496 Da
Monoisotopic Mass: 2.6
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	146.2
[M+Na]+	235.08418	155.3
[M-H]-	211.08768	150.7
[M+NH4]+	230.12878	162.3
[M+K]+	251.05812	151.6
[M+H-H2O]+	195.09222	137.7
[M+HCOO]-	257.09316	167.7
[M+CH3COO]-	271.10881	188.7
[M+Na-2H]-	233.06963	152.4
[M]+	212.09441	146.9
[M]-	212.09551	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe