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 149.4
[M+Na]+ 235.09676 157.7
[M-H]- 211.10026 154.0
[M+NH4]+ 230.14136 166.0
[M+K]+ 251.07070 147.2
[M+H-H2O]+ 195.10480 144.6
[M+HCOO]- 257.10574 171.1
[M+CH3COO]- 271.12139 178.1
[M+Na-2H]- 233.08221 157.7
[M]+ 212.10699 147.3
[M]- 212.10809 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