CID 2763882

1-[(ammoniooxy)methyl]-3-methoxybenzene chloride

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

COC1=CC=CC(=C1)CON

InChI

InChI=1S/C8H11NO2/c1-10-8-4-2-3-7(5-8)6-11-9/h2-5H,6,9H2,1H3

InChIKey

KBXVIQKLRHKPEJ-UHFFFAOYSA-N

Compound name

O-[(3-methoxyphenyl)methyl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 86
Patents: 153.07898 Da
Monoisotopic Mass: 0.9
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]+	154.08626	129.7
[M+Na]+	176.06820	137.5
[M-H]-	152.07170	133.2
[M+NH4]+	171.11280	150.5
[M+K]+	192.04214	136.5
[M+H-H2O]+	136.07624	123.8
[M+HCOO]-	198.07718	155.5
[M+CH3COO]-	212.09283	177.6
[M+Na-2H]-	174.05365	137.0
[M]+	153.07843	130.7
[M]-	153.07953	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe