CID 135699305

(2-hydroxy-5-methylphenyl)(phenyl)methanone oxime

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

CC1=CC(=C(C=C1)O)/C(=N/O)/C2=CC=CC=C2

InChI

InChI=1S/C14H13NO2/c1-10-7-8-13(16)12(9-10)14(15-17)11-5-3-2-4-6-11/h2-9,16-17H,1H3/b15-14+

InChIKey

OFNQACPWWOTIFY-CCEZHUSRSA-N

Compound name

2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-4-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 227.09464 Da
Monoisotopic Mass: 3.5
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]+	228.10192	149.7
[M+Na]+	250.08386	156.9
[M-H]-	226.08736	155.5
[M+NH4]+	245.12846	166.8
[M+K]+	266.05780	153.1
[M+H-H2O]+	210.09190	142.6
[M+HCOO]-	272.09284	173.3
[M+CH3COO]-	286.10849	190.1
[M+Na-2H]-	248.06931	155.1
[M]+	227.09409	148.5
[M]-	227.09519	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe