CID 27791

(3-methoxyprop-1-en-1-yl)benzene

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

COCC=CC1=CC=CC=C1

InChI

InChI=1S/C10H12O/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3

InChIKey

XOURNDFHPYLQDJ-UHFFFAOYSA-N

Compound name

3-methoxyprop-1-enylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 655
Patents: 148.08882 Da
Monoisotopic Mass: 2.5
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	130.4
[M+Na]+	171.078038	137.8
[M-H]-	147.081544	133.9
[M+NH4]+	166.122643	151.8
[M+K]+	187.051978	135.7
[M+H-H2O]+	131.086080	124.8
[M+HCOO]-	193.087021	155.2
[M+CH3COO]-	207.102671	174.9
[M+Na-2H]-	169.063486	138.3
[M]+	148.08827142	131.4
[M]-	148.08936858	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe