CID 97927

7252-50-8

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C14H14N2O2/c1-9-5-3-7-11(15-9)13(17)14(18)12-8-4-6-10(2)16-12/h3-8,13,17H,1-2H3

InChIKey

IDUIGZZRUKXMOQ-UHFFFAOYSA-N

Compound name

2-hydroxy-1,2-bis(6-methylpyridin-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 242.10553 Da
Monoisotopic Mass: 1.7
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]+	243.11281	155.0
[M+Na]+	265.09475	169.1
[M+NH4]+	260.13935	161.9
[M+K]+	281.06869	163.1
[M-H]-	241.09825	157.3
[M+Na-2H]-	263.08020	163.0
[M]+	242.10498	157.6
[M]-	242.10608	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe