CID 24844635

1-methyl-4-allyloxy-carbonylpyridinium iodide

Structural Information

Molecular Formula
C10H12NO2
SMILES
C[N+]1=CC=CC(=C1)C(=O)OCC=C
InChI
InChI=1S/C10H12NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h3-6,8H,1,7H2,2H3/q+1
InChIKey
NPSQCRIVRSHPJR-UHFFFAOYSA-N
Compound name
prop-2-enyl 1-methylpyridin-1-ium-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.0868 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09408 137.9
[M+Na]+ 201.07602 146.2
[M-H]- 177.07952 140.7
[M+NH4]+ 196.12062 156.6
[M+K]+ 217.04996 138.9
[M+H-H2O]+ 161.08406 134.2
[M+HCOO]- 223.08500 160.5
[M+CH3COO]- 237.10065 173.6
[M+Na-2H]- 199.06147 146.0
[M]+ 178.08625 138.6
[M]- 178.08735 138.6
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.