CID 476589

3-ethyl-4,6-dimethylpyrazolo[4,5-d]1,2,3-triazole

Structural Information

Molecular Formula
C7H11N5
SMILES
CCN1C2=C(C(=NN2C)C)N=N1
InChI
InChI=1S/C7H11N5/c1-4-12-7-6(8-10-12)5(2)9-11(7)3/h4H2,1-3H3
InChIKey
LOIPAAIVBSLWAE-UHFFFAOYSA-N
Compound name
3-ethyl-4,6-dimethylpyrazolo[3,4-d]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

165.10144 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10872 135.0
[M+Na]+ 188.09066 148.5
[M-H]- 164.09416 134.6
[M+NH4]+ 183.13526 154.5
[M+K]+ 204.06460 146.2
[M+H-H2O]+ 148.09870 126.9
[M+HCOO]- 210.09964 156.4
[M+CH3COO]- 224.11529 149.1
[M+Na-2H]- 186.07611 140.1
[M]+ 165.10089 139.8
[M]- 165.10199 139.8
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.