CID 3298577

1-ethyl-4-(2-hydroxystyryl)pyridinium iodide

Structural Information

Molecular Formula
C15H16NO
SMILES
CC[N+]1=CC=C(C=C1)C=CC2=CC=CC=C2O
InChI
InChI=1S/C15H15NO/c1-2-16-11-9-13(10-12-16)7-8-14-5-3-4-6-15(14)17/h3-12H,2H2,1H3/p+1
InChIKey
VAYUJBYZNHHPGG-UHFFFAOYSA-O
Compound name
2-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 154.1
[M+Na]+ 249.11240 162.0
[M-H]- 225.11590 158.5
[M+NH4]+ 244.15700 170.1
[M+K]+ 265.08634 151.3
[M+H-H2O]+ 209.12044 149.1
[M+HCOO]- 271.12138 175.4
[M+CH3COO]- 285.13703 181.1
[M+Na-2H]- 247.09785 161.9
[M]+ 226.12263 152.4
[M]- 226.12373 152.4
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.