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 143.6
[M+Na]+ 215.11414 153.1
[M-H]- 191.11764 144.2
[M+NH4]+ 210.15874 157.9
[M+K]+ 231.08808 144.6
[M+H-H2O]+ 175.12218 136.1
[M+HCOO]- 237.12312 161.8
[M+CH3COO]- 251.13877 177.4
[M+Na-2H]- 213.09959 151.5
[M]+ 192.12437 142.1
[M]- 192.12547 142.1
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.