CID 212100

23916-77-0

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCO

InChI

InChI=1S/C12H12N2O2/c15-9-8-14-12(16)7-6-11(13-14)10-4-2-1-3-5-10/h1-7,15H,8-9H2

InChIKey

XHSYJYUUWKZQOW-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethyl)-6-phenylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 216.08987 Da
Monoisotopic Mass: 0.8
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]+	217.09715	146.1
[M+Na]+	239.07909	155.3
[M-H]-	215.08259	149.2
[M+NH4]+	234.12369	161.3
[M+K]+	255.05303	150.9
[M+H-H2O]+	199.08713	137.6
[M+HCOO]-	261.08807	167.6
[M+CH3COO]-	275.10372	184.4
[M+Na-2H]-	237.06454	153.4
[M]+	216.08932	146.5
[M]-	216.09042	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe