CID 6912320

1-methyl-2-((1-oxo-2-indanylidene)methyl)pyridinium iodide

Structural Information

Molecular Formula
C16H14NO
SMILES
C[N+]1=CC=CC=C1/C=C/2\CC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H14NO/c1-17-9-5-4-7-14(17)11-13-10-12-6-2-3-8-15(12)16(13)18/h2-9,11H,10H2,1H3/q+1/b13-11+
InChIKey
PSTJSKAYYZVTRV-ACCUITESSA-N
Compound name
(2E)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10754 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11482 155.9
[M+Na]+ 259.09676 165.2
[M-H]- 235.10026 162.9
[M+NH4]+ 254.14136 175.1
[M+K]+ 275.07070 154.2
[M+H-H2O]+ 219.10480 151.1
[M+HCOO]- 281.10574 177.8
[M+CH3COO]- 295.12139 184.8
[M+Na-2H]- 257.08221 162.2
[M]+ 236.10699 154.2
[M]- 236.10809 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.