CID 427842

1-ethoxyethyl-4-picolinium iodide

Structural Information

Molecular Formula
C10H16NO
SMILES
CCOCC[N+]1=CC=C(C=C1)C
InChI
InChI=1S/C10H16NO/c1-3-12-9-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3/q+1
InChIKey
NYQKHSGKWHYXFZ-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethyl)-4-methylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.12318 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.13046 137.1
[M+Na]+ 189.11240 145.0
[M-H]- 165.11590 139.7
[M+NH4]+ 184.15700 156.5
[M+K]+ 205.08634 138.0
[M+H-H2O]+ 149.12044 133.3
[M+HCOO]- 211.12138 160.0
[M+CH3COO]- 225.13703 173.7
[M+Na-2H]- 187.09785 146.4
[M]+ 166.12263 138.5
[M]- 166.12373 138.5
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