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]+ 213.114816 149.4
[M+Na]+ 235.096758 157.7
[M-H]- 211.100264 154.0
[M+NH4]+ 230.141363 166.0
[M+K]+ 251.070698 147.2
[M+H-H2O]+ 195.104800 144.6
[M+HCOO]- 257.105741 171.1
[M+CH3COO]- 271.121391 178.1
[M+Na-2H]- 233.082206 157.7
[M]+ 212.10699142 147.3
[M]- 212.10808858 147.3
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