CID 584247

4-isopropenylphenol

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

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

InChI

InChI=1S/C9H10O/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1H2,2H3

InChIKey

JAGRUUPXPPLSRX-UHFFFAOYSA-N

Compound name

4-prop-1-en-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 9122
Patents: 134.07317 Da
Monoisotopic Mass: 3.0
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]+	135.080446	125.7
[M+Na]+	157.062388	133.8
[M-H]-	133.065894	128.5
[M+NH4]+	152.106993	147.2
[M+K]+	173.036328	131.4
[M+H-H2O]+	117.070430	121.0
[M+HCOO]-	179.071371	148.3
[M+CH3COO]-	193.087021	171.7
[M+Na-2H]-	155.047836	131.7
[M]+	134.07262142	124.3
[M]-	134.07371858	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe