CID 26715

Credazine

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

CC1=CC=CC=C1OC2=NN=CC=C2

InChI

InChI=1S/C11H10N2O/c1-9-5-2-3-6-10(9)14-11-7-4-8-12-13-11/h2-8H,1H3

InChIKey

DNPSYFHJYIRREW-UHFFFAOYSA-N

Compound name

3-(2-methylphenoxy)pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4512
Patents: 186.07932 Da
Monoisotopic Mass: 2.1
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]+	187.08660	139.1
[M+Na]+	209.06854	155.2
[M+NH4]+	204.11314	148.0
[M+K]+	225.04248	147.3
[M-H]-	185.07204	143.1
[M+Na-2H]-	207.05399	150.1
[M]+	186.07877	142.7
[M]-	186.07987	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe