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]+ 192.124376 145.9
[M+Na]+ 214.106318 158.3
[M-H]- 190.109824 144.9
[M+NH4]+ 209.150923 162.3
[M+K]+ 230.080258 155.0
[M+H-H2O]+ 174.114360 137.5
[M+HCOO]- 236.115301 164.0
[M+CH3COO]- 250.130951 184.8
[M+Na-2H]- 212.091766 154.2
[M]+ 191.11655142 149.4
[M]- 191.11764858 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