CID 135770316

Sr 95087

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

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

InChI

InChI=1S/C11H11N3O/c1-7-6-10(13-14-11(7)12)8-2-4-9(15)5-3-8/h2-6,15H,1H3,(H2,12,14)

InChIKey

FLJDJBVVTOWSSF-UHFFFAOYSA-N

Compound name

4-(6-amino-5-methylpyridazin-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 201.09021 Da
Monoisotopic Mass: 1.2
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]+	202.09749	143.7
[M+Na]+	224.07943	158.4
[M+NH4]+	219.12403	151.6
[M+K]+	240.05337	151.8
[M-H]-	200.08293	147.4
[M+Na-2H]-	222.06488	152.7
[M]+	201.08966	146.8
[M]-	201.09076	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe