CID 108115

N-hydroxyphenetidine

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CCOC1=CC=C(C=C1)NO

InChI

InChI=1S/C8H11NO2/c1-2-11-8-5-3-7(9-10)4-6-8/h3-6,9-10H,2H2,1H3

InChIKey

BZMRNEWNOBBZCH-UHFFFAOYSA-N

Compound name

N-(4-ethoxyphenyl)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 153.07898 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]+	154.086256	129.7
[M+Na]+	176.068198	137.1
[M-H]-	152.071704	132.3
[M+NH4]+	171.112803	150.0
[M+K]+	192.042138	135.5
[M+H-H2O]+	136.076240	124.1
[M+HCOO]-	198.077181	154.6
[M+CH3COO]-	212.092831	175.7
[M+Na-2H]-	174.053646	137.6
[M]+	153.07843142	129.9
[M]-	153.07952858	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe