CID 3024605

96641-19-9

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

COC1=CC=C(C=C1)C2=NNC(=O)CC2CO

InChI

InChI=1S/C12H14N2O3/c1-17-10-4-2-8(3-5-10)12-9(7-15)6-11(16)13-14-12/h2-5,9,15H,6-7H2,1H3,(H,13,16)

InChIKey

MZWBNVPXKXCTNT-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 234.10045 Da
Monoisotopic Mass: 0.2
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]+	235.107726	152.3
[M+Na]+	257.089668	159.8
[M-H]-	233.093174	153.7
[M+NH4]+	252.134273	166.1
[M+K]+	273.063608	155.7
[M+H-H2O]+	217.097710	144.1
[M+HCOO]-	279.098651	169.6
[M+CH3COO]-	293.114301	185.9
[M+Na-2H]-	255.075116	156.4
[M]+	234.09990142	149.9
[M]-	234.10099858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe