CID 135480775

121845-94-1

Structural Information

Molecular Formula

C₁₂H₁₂N₄

SMILES

CC1(NC2=C(C3=CC=CC=C3N=C2)N=N1)C

InChI

InChI=1S/C12H12N4/c1-12(2)14-10-7-13-9-6-4-3-5-8(9)11(10)15-16-12/h3-7,14H,1-2H3

InChIKey

BJDADNMWQXQSAI-UHFFFAOYSA-N

Compound name

3,3-dimethyl-4H-[1,2,4]triazino[5,6-c]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 212.1062 Da
Monoisotopic Mass: 2.7
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]+	213.11348	149.8
[M+Na]+	235.09542	160.4
[M-H]-	211.09892	148.7
[M+NH4]+	230.14002	166.5
[M+K]+	251.06936	154.6
[M+H-H2O]+	195.10346	140.3
[M+HCOO]-	257.10440	164.6
[M+CH3COO]-	271.12005	160.9
[M+Na-2H]-	233.08087	160.5
[M]+	212.10565	148.0
[M]-	212.10675	148.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.