CID 2758850

24539-92-2

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

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

InChI

InChI=1S/C10H12O2/c1-3-8-4-5-10(12)9(6-8)7(2)11/h4-6,12H,3H2,1-2H3

InChIKey

GSTOHKXQBZZTPF-UHFFFAOYSA-N

Compound name

1-(5-ethyl-2-hydroxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 164.08372 Da
Monoisotopic Mass: 2.6
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	134.2
[M+Na]+	187.07294	147.0
[M+NH4]+	182.11754	142.4
[M+K]+	203.04688	141.1
[M-H]-	163.07644	135.7
[M+Na-2H]-	185.05839	140.3
[M]+	164.08317	136.4
[M]-	164.08427	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe