CID 603946

Cm 30465

Structural Information

Molecular Formula

C₁₁H₁₁N₃

SMILES

CC1=CC(=NN=C1N)C2=CC=CC=C2

InChI

InChI=1S/C11H11N3/c1-8-7-10(13-14-11(8)12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,14)

InChIKey

JZUHYRSDTPCHRR-UHFFFAOYSA-N

Compound name

4-methyl-6-phenylpyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 185.09529 Da
Monoisotopic Mass: 1.5
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]+	186.10257	139.9
[M+Na]+	208.08451	149.0
[M-H]-	184.08801	144.0
[M+NH4]+	203.12911	156.6
[M+K]+	224.05845	144.9
[M+H-H2O]+	168.09255	131.5
[M+HCOO]-	230.09349	163.1
[M+CH3COO]-	244.10914	152.9
[M+Na-2H]-	206.06996	147.7
[M]+	185.09474	138.0
[M]-	185.09584	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe