CID 516600

121845-52-1

Structural Information

Molecular Formula

C₁₂H₁₄N₄

SMILES

C1CCC(CC1)C2=NC3=C(C=CN=C3)N=N2

InChI

InChI=1S/C12H14N4/c1-2-4-9(5-3-1)12-14-11-8-13-7-6-10(11)15-16-12/h6-9H,1-5H2

InChIKey

AJBBGDNWIVFDFK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 214.12184 Da
Monoisotopic Mass: 1.8
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]+	215.12912	149.6
[M+Na]+	237.11106	156.4
[M-H]-	213.11456	150.5
[M+NH4]+	232.15566	162.9
[M+K]+	253.08500	151.6
[M+H-H2O]+	197.11910	138.5
[M+HCOO]-	259.12004	164.5
[M+CH3COO]-	273.13569	159.7
[M+Na-2H]-	235.09651	157.9
[M]+	214.12129	144.6
[M]-	214.12239	144.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.