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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.12438	142.1
[M+Na]+	214.10632	156.1
[M+NH4]+	209.15092	148.9
[M+K]+	230.08026	152.6
[M-H]-	190.10982	141.1
[M+Na-2H]-	212.09177	148.5
[M]+	191.11655	143.8
[M]-	191.11765	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe