CID 1547801

Tetrazolo[1,5-b][1,2,4]triazine

Structural Information

Molecular Formula
C3H2N6
SMILES
C1=NC2=NN=NN2N=C1
InChI
InChI=1S/C3H2N6/c1-2-5-9-3(4-1)6-7-8-9/h1-2H
InChIKey
RWALKPCNBVYSAZ-UHFFFAOYSA-N
Compound name
tetrazolo[1,5-b][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

122.034096 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.04137 119.9
[M+Na]+ 145.02331 132.6
[M-H]- 121.02682 117.2
[M+NH4]+ 140.06792 136.8
[M+K]+ 160.99725 130.2
[M+H-H2O]+ 105.03136 110.5
[M+HCOO]- 167.03230 140.2
[M+CH3COO]- 181.04795 133.6
[M+Na-2H]- 143.00876 132.2
[M]+ 122.03355 121.7
[M]- 122.03464 121.7
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

patents stripe