CID 423845

4-(4-methoxystyryl)-1-methylpyridinium iodide

Structural Information

Molecular Formula
C15H16NO
SMILES
C[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H16NO/c1-16-11-9-14(10-12-16)4-3-13-5-7-15(17-2)8-6-13/h3-12H,1-2H3/q+1
InChIKey
LFPRNRJYMNTKPI-UHFFFAOYSA-N
Compound name
4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

226.12318 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13046 153.8
[M+Na]+ 249.11240 162.1
[M-H]- 225.11590 159.6
[M+NH4]+ 244.15700 170.5
[M+K]+ 265.08634 152.3
[M+H-H2O]+ 209.12044 148.4
[M+HCOO]- 271.12138 176.6
[M+CH3COO]- 285.13703 183.8
[M+Na-2H]- 247.09785 162.0
[M]+ 226.12263 153.9
[M]- 226.12373 153.9
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

patents stripe