CID 202510

2-(3-pyridyl)-1,3-indandione

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CN=CC=C3
InChI
InChI=1S/C14H9NO2/c16-13-10-5-1-2-6-11(10)14(17)12(13)9-4-3-7-15-8-9/h1-8,12H
InChIKey
KZCHOHAIQCNOMG-UHFFFAOYSA-N
Compound name
2-pyridin-3-ylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

223.06332 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 147.8
[M+Na]+ 246.05254 162.9
[M+NH4]+ 241.09714 156.9
[M+K]+ 262.02648 156.8
[M-H]- 222.05604 151.8
[M+Na-2H]- 244.03799 155.9
[M]+ 223.06277 151.1
[M]- 223.06387 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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