CID 5314058

4-propenylphenol

Structural Information

Molecular Formula

C₁₀H₁₂

SMILES

C/C=C/C1=CC=C(C=C1)C

InChI

InChI=1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3-8H,1-2H3/b4-3+

InChIKey

LSMSSYSRCUNIFX-ONEGZZNKSA-N

Compound name

1-methyl-4-[(E)-prop-1-enyl]benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 998
Patents: 132.0939 Da
Monoisotopic Mass: 3.3
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]+	133.10118	127.5
[M+Na]+	155.08312	141.9
[M+NH4]+	150.12772	137.5
[M+K]+	171.05706	133.6
[M-H]-	131.08662	130.9
[M+Na-2H]-	153.06857	135.9
[M]+	132.09335	130.6
[M]-	132.09445	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe