CID 11171188

139000-76-3

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

C1=CC=C(C=C1)COCCON

InChI

InChI=1S/C9H13NO2/c10-12-7-6-11-8-9-4-2-1-3-5-9/h1-5H,6-8,10H2

InChIKey

QCGLSKQHZHTJMW-UHFFFAOYSA-N

Compound name

O-(2-phenylmethoxyethyl)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 167.09464 Da
Monoisotopic Mass: 0.7
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]+	168.10192	134.5
[M+Na]+	190.08386	140.9
[M-H]-	166.08736	137.4
[M+NH4]+	185.12846	154.4
[M+K]+	206.05780	139.6
[M+H-H2O]+	150.09190	128.1
[M+HCOO]-	212.09284	159.9
[M+CH3COO]-	226.10849	179.5
[M+Na-2H]-	188.06931	142.0
[M]+	167.09409	135.5
[M]-	167.09519	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe