CID 15624

2-allylphenol

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

C=CCC1=CC=CC=C1O

InChI

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

InChIKey

QIRNGVVZBINFMX-UHFFFAOYSA-N

Compound name

2-prop-2-enylphenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 26
References: 27992
Patents: 134.07317 Da
Monoisotopic Mass: 2.7
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	125.6
[M+Na]+	157.06239	133.9
[M-H]-	133.06589	128.2
[M+NH4]+	152.10699	147.1
[M+K]+	173.03633	131.0
[M+H-H2O]+	117.07043	120.7
[M+HCOO]-	179.07137	149.1
[M+CH3COO]-	193.08702	170.9
[M+Na-2H]-	155.04784	132.8
[M]+	134.07262	124.8
[M]-	134.07372	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe