CID 58490200

1416711-59-5

Structural Information

Molecular Formula
C9H9N5
SMILES
C1=CC(=CC=C1CN)C2=NN=CN=N2
InChI
InChI=1S/C9H9N5/c10-5-7-1-3-8(4-2-7)9-13-11-6-12-14-9/h1-4,6H,5,10H2
InChIKey
JGCOJRPYFRRONJ-UHFFFAOYSA-N
Compound name
[4-(1,2,4,5-tetrazin-3-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

187.0858 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.093076 140.4
[M+Na]+ 210.075018 149.6
[M-H]- 186.078524 141.5
[M+NH4]+ 205.119623 153.9
[M+K]+ 226.048958 145.1
[M+H-H2O]+ 170.083060 130.4
[M+HCOO]- 232.084001 161.4
[M+CH3COO]- 246.099651 152.3
[M+Na-2H]- 208.060466 150.2
[M]+ 187.08525142 138.5
[M]- 187.08634858 138.5
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