CID 135408704

4-hydroxybenzaldehyde oxime

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C7H7NO2/c9-7-3-1-6(2-4-7)5-8-10/h1-5,9-10H/b8-5+

InChIKey

LJEARAFLOCEYHX-VMPITWQZSA-N

Compound name

4-[(E)-hydroxyiminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 115
Patents: 137.04768 Da
Monoisotopic Mass: 1.7
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]+	138.054956	124.0
[M+Na]+	160.036898	132.3
[M-H]-	136.040404	126.9
[M+NH4]+	155.081503	145.0
[M+K]+	176.010838	130.3
[M+H-H2O]+	120.044940	118.8
[M+HCOO]-	182.045881	149.5
[M+CH3COO]-	196.061531	171.0
[M+Na-2H]-	158.022346	132.5
[M]+	137.04713142	123.1
[M]-	137.04822858	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe