CID 154700153

Ns00117862

Structural Information

Molecular Formula
C9H14N5
SMILES
CCN1N=C(N=N1)C2=CCC=[N+](C2)C
InChI
InChI=1S/C9H14N5/c1-3-14-11-9(10-12-14)8-5-4-6-13(2)7-8/h5-6H,3-4,7H2,1-2H3/q+1
InChIKey
ZUJAHDQCHDZIDL-UHFFFAOYSA-N
Compound name
3-(2-ethyltetrazol-5-yl)-1-methyl-2,5-dihydropyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12492 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13220 140.3
[M+Na]+ 215.11414 155.9
[M+NH4]+ 210.15874 148.3
[M+K]+ 231.08808 152.2
[M-H]- 191.11764 142.9
[M+Na-2H]- 213.09959 148.8
[M]+ 192.12437 143.5
[M]- 192.12547 143.5
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.