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 134.5
[M+Na]+ 186.07502 148.4
[M-H]- 162.07852 133.8
[M+NH4]+ 181.11962 152.3
[M+K]+ 202.04896 145.0
[M+H-H2O]+ 146.08306 126.1
[M+HCOO]- 208.08400 155.0
[M+CH3COO]- 222.09965 148.4
[M+Na-2H]- 184.06047 142.6
[M]+ 163.08525 138.4
[M]- 163.08635 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