CID 516591

14612-29-4

Structural Information

Molecular Formula

C₇H₆N₄

SMILES

CC1=NC2=C(C=CN=C2)N=N1

InChI

InChI=1S/C7H6N4/c1-5-9-7-4-8-3-2-6(7)11-10-5/h2-4H,1H3

InChIKey

RYAFSYUBWRLFHS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 146.05925 Da
Monoisotopic Mass: 0.0
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]+	147.06653	128.9
[M+Na]+	169.04847	139.8
[M-H]-	145.05197	128.3
[M+NH4]+	164.09307	146.0
[M+K]+	185.02241	136.6
[M+H-H2O]+	129.05651	120.2
[M+HCOO]-	191.05745	148.5
[M+CH3COO]-	205.07310	142.1
[M+Na-2H]-	167.03392	140.7
[M]+	146.05870	129.2
[M]-	146.05980	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe