CID 10443071

Alvameline (pyridine-n-oxide)

Structural Information

Molecular Formula
C9H15N5O
SMILES
CCN1N=C(N=N1)C2=CCC[N+](C2)(C)[O-]
InChI
InChI=1S/C9H15N5O/c1-3-13-11-9(10-12-13)8-5-4-6-14(2,15)7-8/h5H,3-4,6-7H2,1-2H3
InChIKey
DTAHTIJECGXNNN-UHFFFAOYSA-N
Compound name
5-(2-ethyltetrazol-5-yl)-1-methyl-1-oxido-3,6-dihydro-2H-pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.12766 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13494 145.3
[M+Na]+ 232.11688 159.2
[M+NH4]+ 227.16148 153.6
[M+K]+ 248.09082 155.3
[M-H]- 208.12038 146.8
[M+Na-2H]- 230.10233 152.9
[M]+ 209.12711 147.7
[M]- 209.12821 147.7
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

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No patent data available for this compound.