CID 73955

4-methylphenetole

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

CCOC1=CC=C(C=C1)C

InChI

InChI=1S/C9H12O/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChIKey

WSWPHHNIHLTAHB-UHFFFAOYSA-N

Compound name

1-ethoxy-4-methylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4220
Patents: 136.08882 Da
Monoisotopic Mass: 3.0
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]+	137.09610	126.1
[M+Na]+	159.07804	134.6
[M-H]-	135.08154	130.2
[M+NH4]+	154.12264	148.4
[M+K]+	175.05198	133.3
[M+H-H2O]+	119.08608	120.9
[M+HCOO]-	181.08702	151.0
[M+CH3COO]-	195.10267	174.6
[M+Na-2H]-	157.06349	133.9
[M]+	136.08827	128.0
[M]-	136.08937	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe