CID 52311

73728-58-2

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

C1=CC=C(C=C1)C(CON)O

InChI

InChI=1S/C8H11NO2/c9-11-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2

InChIKey

ZLBWPYIKHLGYQC-UHFFFAOYSA-N

Compound name

2-aminooxy-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 153.07898 Da
Monoisotopic Mass: 0.2
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]+	154.086256	131.1
[M+Na]+	176.068198	137.3
[M-H]-	152.071704	132.9
[M+NH4]+	171.112803	150.8
[M+K]+	192.042138	135.8
[M+H-H2O]+	136.076240	125.3
[M+HCOO]-	198.077181	154.4
[M+CH3COO]-	212.092831	174.7
[M+Na-2H]-	174.053646	137.3
[M]+	153.07843142	129.2
[M]-	153.07952858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe