CID 345088

Beta-hydroxy-naphthaldoxime

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

C1=CC=C2C(=C1)C=CC(=C2C=NO)O

InChI

InChI=1S/C11H9NO2/c13-11-6-5-8-3-1-2-4-9(8)10(11)7-12-14/h1-7,13-14H

InChIKey

VPTYRUGUZUYAGZ-UHFFFAOYSA-N

Compound name

1-(hydroxyiminomethyl)naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 48
Patents: 187.06332 Da
Monoisotopic Mass: 2.5
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]+	188.07060	135.9
[M+Na]+	210.05254	144.9
[M-H]-	186.05604	139.8
[M+NH4]+	205.09714	156.1
[M+K]+	226.02648	141.2
[M+H-H2O]+	170.06058	130.1
[M+HCOO]-	232.06152	160.0
[M+CH3COO]-	246.07717	181.9
[M+Na-2H]-	208.03799	145.0
[M]+	187.06277	135.7
[M]-	187.06387	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe