CID 19089

(2-methoxyethyl)benzene

Structural Information

Molecular Formula

C₉H₁₂O

SMILES

COCCC1=CC=CC=C1

InChI

InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChIKey

CQLYXIUHVFRXLT-UHFFFAOYSA-N

Compound name

2-methoxyethylbenzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 5
References: 5869
Patents: 136.08882 Da
Monoisotopic Mass: 2.2
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]+	137.096096	126.9
[M+Na]+	159.078038	134.3
[M-H]-	135.081544	130.5
[M+NH4]+	154.122643	148.8
[M+K]+	175.051978	133.1
[M+H-H2O]+	119.086080	121.4
[M+HCOO]-	181.087021	151.8
[M+CH3COO]-	195.102671	173.5
[M+Na-2H]-	157.063486	135.3
[M]+	136.08827142	128.3
[M]-	136.08936858	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe