CID 22924489

103323-24-6

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CCC1=CC=C(C=C1)C(=O)CO

InChI

InChI=1S/C10H12O2/c1-2-8-3-5-9(6-4-8)10(12)7-11/h3-6,11H,2,7H2,1H3

InChIKey

LDPGEBXSRJFAIX-UHFFFAOYSA-N

Compound name

1-(4-ethylphenyl)-2-hydroxyethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 164.08372 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]+	165.09100	134.6
[M+Na]+	187.07294	147.1
[M+NH4]+	182.11754	142.9
[M+K]+	203.04688	141.0
[M-H]-	163.07644	136.1
[M+Na-2H]-	185.05839	141.0
[M]+	164.08317	136.7
[M]-	164.08427	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe