CID 22216710

(1,2,4)triazolo(4,3-b)(1,2,4,5)tetrazin-3-amine

Structural Information

Molecular Formula
C3H3N7
SMILES
C1=NN2C(=NN=C2N=N1)N
InChI
InChI=1S/C3H3N7/c4-2-7-9-3-8-5-1-6-10(2)3/h1H,(H2,4,7)
InChIKey
BHEQGNDESPMWLZ-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

137.045 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05228 124.3
[M+Na]+ 160.03422 137.1
[M-H]- 136.03772 121.7
[M+NH4]+ 155.07882 140.3
[M+K]+ 176.00816 134.1
[M+H-H2O]+ 120.04226 115.0
[M+HCOO]- 182.04320 145.2
[M+CH3COO]- 196.05885 137.6
[M+Na-2H]- 158.01967 135.5
[M]+ 137.04445 124.9
[M]- 137.04555 124.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe