CID 65520

4-hydroxyaminopropiophenone

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CCC(=O)C1=CC=C(C=C1)NO

InChI

InChI=1S/C9H11NO2/c1-2-9(11)7-3-5-8(10-12)6-4-7/h3-6,10,12H,2H2,1H3

InChIKey

SPLXTEULIVJMRZ-UHFFFAOYSA-N

Compound name

1-[4-(hydroxyamino)phenyl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 12
Patents: 165.07898 Da
Monoisotopic Mass: 1.9
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]+	166.086256	133.7
[M+Na]+	188.068198	140.7
[M-H]-	164.071704	136.2
[M+NH4]+	183.112803	153.3
[M+K]+	204.042138	138.7
[M+H-H2O]+	148.076240	128.0
[M+HCOO]-	210.077181	157.4
[M+CH3COO]-	224.092831	178.7
[M+Na-2H]-	186.053646	139.7
[M]+	165.07843142	132.8
[M]-	165.07952858	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe