CID 4980025

57654-36-1

Structural Information

Molecular Formula
C12H8N6
SMILES
C1=CN=CC=C1C2=NN=C(N=N2)C3=CC=NC=C3
InChI
InChI=1S/C12H8N6/c1-5-13-6-2-9(1)11-15-17-12(18-16-11)10-3-7-14-8-4-10/h1-8H
InChIKey
MQSMIIJCRWDMDL-UHFFFAOYSA-N
Compound name
3,6-dipyridin-4-yl-1,2,4,5-tetrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

395
Patents

236.08104 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08832 154.7
[M+Na]+ 259.07026 164.6
[M-H]- 235.07376 156.2
[M+NH4]+ 254.11486 163.1
[M+K]+ 275.04420 157.9
[M+H-H2O]+ 219.07830 142.0
[M+HCOO]- 281.07924 172.2
[M+CH3COO]- 295.09489 165.0
[M+Na-2H]- 257.05571 165.6
[M]+ 236.08049 153.3
[M]- 236.08159 153.3
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