CID 516598

121845-50-9

Structural Information

Molecular Formula

C₁₀H₁₀N₄

SMILES

C1CC(C1)C2=NC3=C(C=CN=C3)N=N2

InChI

InChI=1S/C10H10N4/c1-2-7(3-1)10-12-9-6-11-5-4-8(9)13-14-10/h4-7H,1-3H2

InChIKey

XUCKWNNAOVGDHA-UHFFFAOYSA-N

Compound name

3-cyclobutylpyrido[3,4-e][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 186.09055 Da
Monoisotopic Mass: 0.7
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]+	187.097826	137.2
[M+Na]+	209.079768	145.5
[M-H]-	185.083274	138.8
[M+NH4]+	204.124373	146.1
[M+K]+	225.053708	144.7
[M+H-H2O]+	169.087810	122.3
[M+HCOO]-	231.088751	154.3
[M+CH3COO]-	245.104401	148.7
[M+Na-2H]-	207.065216	147.0
[M]+	186.09000142	144.3
[M]-	186.09109858	144.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.