CID 84328

Allyl phenethyl ether

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

C=CCOCCC1=CC=CC=C1

InChI

InChI=1S/C11H14O/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2-7H,1,8-10H2

InChIKey

QNBZQCMSRGAZCR-UHFFFAOYSA-N

Compound name

2-prop-2-enoxyethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 283
Patents: 162.10446 Da
Monoisotopic Mass: 2.7
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]+	163.111736	134.9
[M+Na]+	185.093678	141.8
[M-H]-	161.097184	138.1
[M+NH4]+	180.138283	155.6
[M+K]+	201.067618	139.4
[M+H-H2O]+	145.101720	129.0
[M+HCOO]-	207.102661	159.3
[M+CH3COO]-	221.118311	178.6
[M+Na-2H]-	183.079126	142.2
[M]+	162.10391142	136.3
[M]-	162.10500858	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe