CID 3070769

86870-10-2

Structural Information

Molecular Formula
C9H13N5
SMILES
CC1=NN=C2N1N=CC(=N2)C(C)(C)C
InChI
InChI=1S/C9H13N5/c1-6-12-13-8-11-7(9(2,3)4)5-10-14(6)8/h5H,1-4H3
InChIKey
DHZOTNNVATXARW-UHFFFAOYSA-N
Compound name
7-tert-butyl-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.1171 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.12438 145.9
[M+Na]+ 214.10632 158.3
[M-H]- 190.10982 144.9
[M+NH4]+ 209.15092 162.3
[M+K]+ 230.08026 155.0
[M+H-H2O]+ 174.11436 137.5
[M+HCOO]- 236.11530 164.0
[M+CH3COO]- 250.13095 184.8
[M+Na-2H]- 212.09177 154.2
[M]+ 191.11655 149.4
[M]- 191.11765 149.4
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