CID 300308

Dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate

Structural Information

Molecular Formula
C6H6N4O4
SMILES
COC(=O)C1=NN=C(N=N1)C(=O)OC
InChI
InChI=1S/C6H6N4O4/c1-13-5(11)3-7-9-4(10-8-3)6(12)14-2/h1-2H3
InChIKey
QODPSGGFQFBWME-UHFFFAOYSA-N
Compound name
dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

79
Patents

198.03891 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.04619 139.1
[M+Na]+ 221.02813 150.5
[M+NH4]+ 216.07273 143.3
[M+K]+ 237.00207 148.0
[M-H]- 197.03163 136.2
[M+Na-2H]- 219.01358 143.7
[M]+ 198.03836 139.4
[M]- 198.03946 139.4
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