CID 516594

121845-47-4

Structural Information

Molecular Formula

C₁₀H₁₂N₄

SMILES

CC(C)(C)C1=NC2=C(C=CN=C2)N=N1

InChI

InChI=1S/C10H12N4/c1-10(2,3)9-12-8-6-11-5-4-7(8)13-14-9/h4-6H,1-3H3

InChIKey

ISNIXAJRVMVQES-UHFFFAOYSA-N

Compound name

3-tert-butylpyrido[3,4-e][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 188.1062 Da
Monoisotopic Mass: 1.3
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]+	189.11348	144.9
[M+Na]+	211.09542	155.0
[M-H]-	187.09892	144.3
[M+NH4]+	206.14002	160.5
[M+K]+	227.06936	151.5
[M+H-H2O]+	171.10346	136.3
[M+HCOO]-	233.10440	161.9
[M+CH3COO]-	247.12005	183.8
[M+Na-2H]-	209.08087	155.6
[M]+	188.10565	145.7
[M]-	188.10675	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe