CID 564965

Ether, 1-methylallyl phenyl

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

CC(C=C)OC1=CC=CC=C1

InChI

InChI=1S/C10H12O/c1-3-9(2)11-10-7-5-4-6-8-10/h3-9H,1H2,2H3

InChIKey

DTMRXFIDQOGVJS-UHFFFAOYSA-N

Compound name

but-3-en-2-yloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 148.08882 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]+	149.096096	130.6
[M+Na]+	171.078038	137.6
[M-H]-	147.081544	134.1
[M+NH4]+	166.122643	151.8
[M+K]+	187.051978	136.0
[M+H-H2O]+	131.086080	125.0
[M+HCOO]-	193.087021	154.3
[M+CH3COO]-	207.102671	176.4
[M+Na-2H]-	169.063486	137.2
[M]+	148.08827142	131.0
[M]-	148.08936858	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe