CID 9263

1,2,4,5-tetrazine

Structural Information

Molecular Formula
C2H2N4
SMILES
C1=NN=CN=N1
InChI
InChI=1S/C2H2N4/c1-3-5-2-6-4-1/h1-2H
InChIKey
HTJMXYRLEDBSLT-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

47
References

16678
Patents

82.02795 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.035226 110.8
[M+Na]+ 105.01717 120.5
[M-H]- 81.020674 109.0
[M+NH4]+ 100.06177 129.0
[M+K]+ 120.99111 119.8
[M+H-H2O]+ 65.025210 102.7
[M+HCOO]- 127.02615 132.2
[M+CH3COO]- 141.04180 124.8
[M+Na-2H]- 103.00262 123.7
[M]+ 82.027401 109.8
[M]- 82.028499 109.8
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

patents stripe