CID 5969050

2-(3-hydroxystyryl)-1-methylpyridinium iodide

Structural Information

Molecular Formula
C14H14NO
SMILES
C[N+]1=CC=CC=C1/C=C/C2=CC(=CC=C2)O
InChI
InChI=1S/C14H13NO/c1-15-10-3-2-6-13(15)9-8-12-5-4-7-14(16)11-12/h2-11H,1H3/p+1/b9-8+
InChIKey
FAUOFTDOZBSXLA-CMDGGOBGSA-O
Compound name
3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

212.10754 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11482 146.3
[M+Na]+ 235.09676 164.1
[M+NH4]+ 230.14136 156.3
[M+K]+ 251.07070 156.2
[M-H]- 211.10026 152.3
[M+Na-2H]- 233.08221 157.2
[M]+ 212.10699 151.1
[M]- 212.10809 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

No literature data available for this compound.

Patent stripe

patents stripe