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]+ 164.09308 133.3
[M+Na]+ 186.07502 148.4
[M+NH4]+ 181.11962 140.6
[M+K]+ 202.04896 144.2
[M-H]- 162.07852 133.0
[M+Na-2H]- 184.06047 139.9
[M]+ 163.08525 135.3
[M]- 163.08635 135.3
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