CID 10888453

81518-74-3

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

C=CCCCOCC1=CC=CC=C1

InChI

InChI=1S/C12H16O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h2,4-6,8-9H,1,3,7,10-11H2

InChIKey

HGTJLOSSHOFXQI-UHFFFAOYSA-N

Compound name

pent-4-enoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 176.12012 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]+	177.12740	140.3
[M+Na]+	199.10934	153.4
[M+NH4]+	194.15394	149.3
[M+K]+	215.08328	144.9
[M-H]-	175.11284	143.0
[M+Na-2H]-	197.09479	147.9
[M]+	176.11957	143.0
[M]-	176.12067	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe