CID 84683

4-ethylpyridine 1-oxide

Structural Information

Molecular Formula
C7H9NO
SMILES
CCC1=CC=[N+](C=C1)[O-]
InChI
InChI=1S/C7H9NO/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
InChIKey
VFJRXOXKSUBBMR-UHFFFAOYSA-N
Compound name
4-ethyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

62
Patents

123.06841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 121.5
[M+Na]+ 146.05763 137.2
[M+NH4]+ 141.10223 131.2
[M+K]+ 162.03157 132.1
[M-H]- 122.06113 124.9
[M+Na-2H]- 144.04308 129.7
[M]+ 123.06786 124.8
[M]- 123.06896 124.8
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