CID 40053

2-((3-pyridinylcarbonyl)oxy)-n,n,n-triethylethanaminium iodide n-oxide

Structural Information

Molecular Formula
C14H23N2O3
SMILES
CC[N+](CC)(CC)CCOC(=O)C1=C[N+](=CC=C1)[O-]
InChI
InChI=1S/C14H23N2O3/c1-4-16(5-2,6-3)10-11-19-14(17)13-8-7-9-15(18)12-13/h7-9,12H,4-6,10-11H2,1-3H3/q+1
InChIKey
ZPSLHOCWAPENOU-UHFFFAOYSA-N
Compound name
triethyl-[2-(1-oxidopyridin-1-ium-3-carbonyl)oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.17087 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.17815 164.9
[M+Na]+ 290.16009 170.2
[M-H]- 266.16359 167.0
[M+NH4]+ 285.20469 179.4
[M+K]+ 306.13403 158.4
[M+H-H2O]+ 250.16813 165.2
[M+HCOO]- 312.16907 185.6
[M+CH3COO]- 326.18472 187.2
[M+Na-2H]- 288.14554 174.2
[M]+ 267.17032 165.2
[M]- 267.17142 165.2
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.