CID 249887

Anibine

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

COC1=CC(=O)OC(=C1)C2=CN=CC=C2

InChI

InChI=1S/C11H9NO3/c1-14-9-5-10(15-11(13)6-9)8-3-2-4-12-7-8/h2-7H,1H3

InChIKey

WOOQLVPKDONBEX-UHFFFAOYSA-N

Compound name

4-methoxy-6-pyridin-3-ylpyran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 203.05824 Da
Monoisotopic Mass: 1.0
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]+	204.065516	139.3
[M+Na]+	226.047458	149.4
[M-H]-	202.050964	146.2
[M+NH4]+	221.092063	155.8
[M+K]+	242.021398	148.1
[M+H-H2O]+	186.055500	131.5
[M+HCOO]-	248.056441	163.3
[M+CH3COO]-	262.072091	183.3
[M+Na-2H]-	224.032906	148.4
[M]+	203.05769142	142.8
[M]-	203.05878858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe