CID 78546

2-ethylpyridine 1-oxide

Structural Information

Molecular Formula
C7H9NO
SMILES
CCC1=CC=CC=[N+]1[O-]
InChI
InChI=1S/C7H9NO/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKey
UOLHRLVWZSCASU-UHFFFAOYSA-N
Compound name
2-ethyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

123.06841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 122.7
[M+Na]+ 146.057628 131.4
[M-H]- 122.061134 124.1
[M+NH4]+ 141.102233 143.1
[M+K]+ 162.031568 125.3
[M+H-H2O]+ 106.065670 122.0
[M+HCOO]- 168.066611 146.0
[M+CH3COO]- 182.082261 161.5
[M+Na-2H]- 144.043076 132.6
[M]+ 123.06786142 120.6
[M]- 123.06895858 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe