CID 4869166

2-(1h-imidazol-2-yl)-1-phenylethanone oxime

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

C1=CC=C(C=C1)C(=NO)CC2=NC=CN2

InChI

InChI=1S/C11H11N3O/c15-14-10(8-11-12-6-7-13-11)9-4-2-1-3-5-9/h1-7,15H,8H2,(H,12,13)

InChIKey

WDKJZPYRHWUAOT-UHFFFAOYSA-N

Compound name

N-[2-(1H-imidazol-2-yl)-1-phenylethylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.09021 Da
Monoisotopic Mass: 1.6
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]+	202.09749	142.8
[M+Na]+	224.07943	149.4
[M-H]-	200.08293	145.5
[M+NH4]+	219.12403	159.5
[M+K]+	240.05337	145.6
[M+H-H2O]+	184.08747	134.4
[M+HCOO]-	246.08841	165.4
[M+CH3COO]-	260.10406	181.9
[M+Na-2H]-	222.06488	148.9
[M]+	201.08966	140.1
[M]-	201.09076	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe