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]+ 224.070596 146.4
[M+Na]+ 246.052538 156.7
[M-H]- 222.056044 153.5
[M+NH4]+ 241.097143 166.2
[M+K]+ 262.026478 152.1
[M+H-H2O]+ 206.060580 139.1
[M+HCOO]- 268.061521 169.5
[M+CH3COO]- 282.077171 160.3
[M+Na-2H]- 244.037986 151.7
[M]+ 223.06277142 146.8
[M]- 223.06386858 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe