CID 577984

30169-25-6

Structural Information

Molecular Formula
C12H14N8
SMILES
CC1=CC(=NN1C2=NN=C(N=N2)N3C(=CC(=N3)C)C)C
InChI
InChI=1S/C12H14N8/c1-7-5-9(3)19(17-7)11-13-15-12(16-14-11)20-10(4)6-8(2)18-20/h5-6H,1-4H3
InChIKey
FPKOARNUITZHCF-UHFFFAOYSA-N
Compound name
3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

270.13416 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14144 161.0
[M+Na]+ 293.12338 176.9
[M+NH4]+ 288.16798 165.8
[M+K]+ 309.09732 175.3
[M-H]- 269.12688 162.0
[M+Na-2H]- 291.10883 169.5
[M]+ 270.13361 163.5
[M]- 270.13471 163.5
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