CID 1713883

4-(allyloxy)phenol

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

C=CCOC1=CC=C(C=C1)O

InChI

InChI=1S/C9H10O2/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6,10H,1,7H2

InChIKey

PWRCOONECNWDBH-UHFFFAOYSA-N

Compound name

4-prop-2-enoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1398
Patents: 150.06808 Da
Monoisotopic Mass: 2.6
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]+	151.07536	128.9
[M+Na]+	173.05730	137.1
[M-H]-	149.06080	131.5
[M+NH4]+	168.10190	149.7
[M+K]+	189.03124	134.8
[M+H-H2O]+	133.06534	123.7
[M+HCOO]-	195.06628	152.7
[M+CH3COO]-	209.08193	172.9
[M+Na-2H]-	171.04275	136.1
[M]+	150.06753	129.5
[M]-	150.06863	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe