CID 22337333

4-(pyridin-3-yl)oxane-2,6-dione

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

C1C(CC(=O)OC1=O)C2=CN=CC=C2

InChI

InChI=1S/C10H9NO3/c12-9-4-8(5-10(13)14-9)7-2-1-3-11-6-7/h1-3,6,8H,4-5H2

InChIKey

BVPNPFSPZNGJRS-UHFFFAOYSA-N

Compound name

4-pyridin-3-yloxane-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 191.05824 Da
Monoisotopic Mass: 0.2
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]+	192.065516	137.4
[M+Na]+	214.047458	145.2
[M-H]-	190.050964	143.4
[M+NH4]+	209.092063	154.0
[M+K]+	230.021398	144.1
[M+H-H2O]+	174.055500	129.9
[M+HCOO]-	236.056441	157.7
[M+CH3COO]-	250.072091	180.4
[M+Na-2H]-	212.032906	144.2
[M]+	191.05769142	135.6
[M]-	191.05878858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe