CID 208759

Pp-12

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C11H10N2O2/c14-8-13-11(15)7-6-10(12-13)9-4-2-1-3-5-9/h1-7,14H,8H2

InChIKey

BVPMMHIYXMVPKJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 202.07423 Da
Monoisotopic Mass: 1.4
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]+	203.08151	141.5
[M+Na]+	225.06345	151.1
[M-H]-	201.06695	144.8
[M+NH4]+	220.10805	157.3
[M+K]+	241.03739	147.1
[M+H-H2O]+	185.07149	133.3
[M+HCOO]-	247.07243	163.4
[M+CH3COO]-	261.08808	181.4
[M+Na-2H]-	223.04890	149.4
[M]+	202.07368	141.6
[M]-	202.07478	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe