CID 135658632

1105193-85-8

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

COC1=C(C=CC(=C1)C2=NNC(=O)C=C2)O

InChI

InChI=1S/C11H10N2O3/c1-16-10-6-7(2-4-9(10)14)8-3-5-11(15)13-12-8/h2-6,14H,1H3,(H,13,15)

InChIKey

RQSRGVSARMICCB-UHFFFAOYSA-N

Compound name

3-(4-hydroxy-3-methoxyphenyl)-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 218.06914 Da
Monoisotopic Mass: 0.9
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]+	219.07642	145.3
[M+Na]+	241.05836	155.2
[M-H]-	217.06186	147.6
[M+NH4]+	236.10296	159.9
[M+K]+	257.03230	150.9
[M+H-H2O]+	201.06640	137.3
[M+HCOO]-	263.06734	165.8
[M+CH3COO]-	277.08299	182.3
[M+Na-2H]-	239.04381	151.9
[M]+	218.06859	145.3
[M]-	218.06969	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe