CID 84542

Allyl benzyl ether

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

C=CCOCC1=CC=CC=C1

InChI

InChI=1S/C10H12O/c1-2-8-11-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2

InChIKey

HUGHWHMUUQNACD-UHFFFAOYSA-N

Compound name

prop-2-enoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 1998
Patents: 148.08882 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]+	149.096096	130.2
[M+Na]+	171.078038	137.5
[M-H]-	147.081544	133.6
[M+NH4]+	166.122643	151.5
[M+K]+	187.051978	135.4
[M+H-H2O]+	131.086080	124.6
[M+HCOO]-	193.087021	154.9
[M+CH3COO]-	207.102671	175.6
[M+Na-2H]-	169.063486	138.1
[M]+	148.08827142	131.3
[M]-	148.08936858	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe