CID 74458

Allyl phenyl ether

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

C=CCOC1=CC=CC=C1

InChI

InChI=1S/C9H10O/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2

InChIKey

POSICDHOUBKJKP-UHFFFAOYSA-N

Compound name

prop-2-enoxybenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 11
References: 21499
Patents: 134.07317 Da
Monoisotopic Mass: 2.9
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]+	135.080446	125.5
[M+Na]+	157.062388	133.2
[M-H]-	133.065894	129.1
[M+NH4]+	152.106993	147.4
[M+K]+	173.036328	131.4
[M+H-H2O]+	117.070430	120.1
[M+HCOO]-	179.071371	150.6
[M+CH3COO]-	193.087021	172.6
[M+Na-2H]-	155.047836	133.9
[M]+	134.07262142	126.2
[M]-	134.07371858	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe