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 144.5
[M+Na]+ 232.11688 153.0
[M-H]- 208.12038 143.7
[M+NH4]+ 227.16148 159.5
[M+K]+ 248.09082 145.5
[M+H-H2O]+ 192.12492 139.7
[M+HCOO]- 254.12586 160.9
[M+CH3COO]- 268.14151 176.2
[M+Na-2H]- 230.10233 152.2
[M]+ 209.12711 140.2
[M]- 209.12821 140.2
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

No patent data available for this compound.