CID 69850

5-ethyl-2-methylpyridine 1-oxide

Structural Information

Molecular Formula
C8H11NO
SMILES
CCC1=C[N+](=C(C=C1)C)[O-]
InChI
InChI=1S/C8H11NO/c1-3-8-5-4-7(2)9(10)6-8/h4-6H,3H2,1-2H3
InChIKey
NUDXKJOCNHFUEZ-UHFFFAOYSA-N
Compound name
5-ethyl-2-methyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

137.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 126.8
[M+Na]+ 160.073278 136.1
[M-H]- 136.076784 128.5
[M+NH4]+ 155.117883 147.0
[M+K]+ 176.047218 129.7
[M+H-H2O]+ 120.081320 126.2
[M+HCOO]- 182.082261 149.9
[M+CH3COO]- 196.097911 165.6
[M+Na-2H]- 158.058726 135.6
[M]+ 137.08351142 125.6
[M]- 137.08460858 125.6
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