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]+ 193.132196 143.6
[M+Na]+ 215.114138 153.1
[M-H]- 191.117644 144.2
[M+NH4]+ 210.158743 157.9
[M+K]+ 231.088078 144.6
[M+H-H2O]+ 175.122180 136.1
[M+HCOO]- 237.123121 161.8
[M+CH3COO]- 251.138771 177.4
[M+Na-2H]- 213.099586 151.5
[M]+ 192.12437142 142.1
[M]- 192.12546858 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.