CID 14267935

1-methyl-3-carbobenzoxy pyridinium iodide

Structural Information

Molecular Formula
C14H14NO2
SMILES
C[N+]1=CC=CC(=C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H14NO2/c1-15-9-5-8-13(10-15)14(16)17-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3/q+1
InChIKey
XQYWSGGZNXJARC-UHFFFAOYSA-N
Compound name
benzyl 1-methylpyridin-1-ium-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

228.10245 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10973 149.2
[M+Na]+ 251.09167 166.2
[M+NH4]+ 246.13627 158.8
[M+K]+ 267.06561 159.2
[M-H]- 227.09517 154.9
[M+Na-2H]- 249.07712 160.1
[M]+ 228.10190 153.7
[M]- 228.10300 153.7
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