CID 68148

4-allylphenol

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

C=CCC1=CC=C(C=C1)O

InChI

InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2

InChIKey

RGIBXDHONMXTLI-UHFFFAOYSA-N

Compound name

4-prop-2-enylphenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 86
References: 12561
Patents: 134.07317 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]+	135.08045	126.7
[M+Na]+	157.06239	140.2
[M+NH4]+	152.10699	135.8
[M+K]+	173.03633	133.0
[M-H]-	133.06589	129.0
[M+Na-2H]-	155.04784	134.2
[M]+	134.07262	129.3
[M]-	134.07372	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe