CID 7019274

4-hydroxyphenylacetone

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

CC(=O)CC1=CC=C(C=C1)O

InChI

InChI=1S/C9H10O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,11H,6H2,1H3

InChIKey

VWMVAQHMFFZQGD-UHFFFAOYSA-N

Compound name

1-(4-hydroxyphenyl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 6878
Patents: 150.06808 Da
Monoisotopic Mass: 0.8
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]+	151.075356	129.1
[M+Na]+	173.057298	137.1
[M-H]-	149.060804	131.8
[M+NH4]+	168.101903	149.9
[M+K]+	189.031238	135.3
[M+H-H2O]+	133.065340	124.1
[M+HCOO]-	195.066281	151.9
[M+CH3COO]-	209.081931	173.8
[M+Na-2H]-	171.042746	135.0
[M]+	150.06753142	129.1
[M]-	150.06862858	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe