CID 3045789

1,2,4-triazolo(4,3-b)(1,2,4)triazine, 3,6,7-trimethyl-

Structural Information

Molecular Formula
C7H9N5
SMILES
CC1=NC2=NN=C(N2N=C1C)C
InChI
InChI=1S/C7H9N5/c1-4-5(2)11-12-6(3)9-10-7(12)8-4/h1-3H3
InChIKey
IVCWEUXGZPPWJY-UHFFFAOYSA-N
Compound name
3,6,7-trimethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

163.0858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.093076 134.5
[M+Na]+ 186.075018 148.4
[M-H]- 162.078524 133.8
[M+NH4]+ 181.119623 152.3
[M+K]+ 202.048958 145.0
[M+H-H2O]+ 146.083060 126.1
[M+HCOO]- 208.084001 155.0
[M+CH3COO]- 222.099651 148.4
[M+Na-2H]- 184.060466 142.6
[M]+ 163.08525142 138.4
[M]- 163.08634858 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe