CID 7674

Phenetole

Structural Information

Molecular Formula

C₈H₁₀O

SMILES

CCOC1=CC=CC=C1

InChI

InChI=1S/C8H10O/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

DLRJIFUOBPOJNS-UHFFFAOYSA-N

Compound name

ethoxybenzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 150
References: 70401
Patents: 122.073166 Da
Monoisotopic Mass: 2.5
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]+	123.08044	122.2
[M+Na]+	145.06238	130.0
[M-H]-	121.06589	126.0
[M+NH4]+	140.10699	144.6
[M+K]+	161.03632	129.1
[M+H-H2O]+	105.07043	116.9
[M+HCOO]-	167.07137	147.4
[M+CH3COO]-	181.08702	170.5
[M+Na-2H]-	143.04783	131.1
[M]+	122.07262	123.2
[M]-	122.07371	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe