CID 164532

54940-93-1

Structural Information

Molecular Formula

C₉H₁₂ClNO

SMILES

CC(CC1=CC=C(C=C1)Cl)NO

InChI

InChI=1S/C9H12ClNO/c1-7(11-12)6-8-2-4-9(10)5-3-8/h2-5,7,11-12H,6H2,1H3

InChIKey

BZXHPTZUMNWGRN-UHFFFAOYSA-N

Compound name

N-[1-(4-chlorophenyl)propan-2-yl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.06075 Da
Monoisotopic Mass: 2.3
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]+	186.06803	137.5
[M+Na]+	208.04997	150.1
[M+NH4]+	203.09457	146.5
[M+K]+	224.02391	143.3
[M-H]-	184.05347	140.0
[M+Na-2H]-	206.03542	144.5
[M]+	185.06020	140.2
[M]-	185.06130	140.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.