CID 283379

1,2,4,5-tetrazine-3,6-diamine

Structural Information

Molecular Formula
C2H4N6
SMILES
C1(=NN=C(N=N1)N)N
InChI
InChI=1S/C2H4N6/c3-1-5-7-2(4)8-6-1/h(H2,3,5,6)(H2,4,7,8)
InChIKey
JOYXTMYVRNWHNJ-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrazine-3,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

137
Patents

112.04974 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05702 120.0
[M+Na]+ 135.03896 130.0
[M-H]- 111.04246 118.2
[M+NH4]+ 130.08356 136.5
[M+K]+ 151.01290 128.0
[M+H-H2O]+ 95.047000 111.8
[M+HCOO]- 157.04794 142.4
[M+CH3COO]- 171.06359 171.1
[M+Na-2H]- 133.02441 130.1
[M]+ 112.04919 116.4
[M]- 112.05029 116.4
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