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
2
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]+ 210.134936 144.5
[M+Na]+ 232.116878 153.0
[M-H]- 208.120384 143.7
[M+NH4]+ 227.161483 159.5
[M+K]+ 248.090818 145.5
[M+H-H2O]+ 192.124920 139.7
[M+HCOO]- 254.125861 160.9
[M+CH3COO]- 268.141511 176.2
[M+Na-2H]- 230.102326 152.2
[M]+ 209.12711142 140.2
[M]- 209.12820858 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.