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	144.0
[M+Na]+	224.07943	153.6
[M-H]-	200.08293	147.2
[M+NH4]+	219.12403	159.7
[M+K]+	240.05337	149.1
[M+H-H2O]+	184.08747	135.9
[M+HCOO]-	246.08841	165.9
[M+CH3COO]-	260.10406	185.6
[M+Na-2H]-	222.06488	150.6
[M]+	201.08966	142.2
[M]-	201.09076	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe