CID 59727795

900800-35-3

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

COC1=C(C=C(C=C1)CO)CC=C

InChI

InChI=1S/C11H14O2/c1-3-4-10-7-9(8-12)5-6-11(10)13-2/h3,5-7,12H,1,4,8H2,2H3

InChIKey

RZVWSNLSBMQBSJ-UHFFFAOYSA-N

Compound name

(4-methoxy-3-prop-2-enylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 178.09938 Da
Monoisotopic Mass: 2.1
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]+	179.10666	138.5
[M+Na]+	201.08860	151.5
[M+NH4]+	196.13320	146.7
[M+K]+	217.06254	144.5
[M-H]-	177.09210	140.2
[M+Na-2H]-	199.07405	144.8
[M]+	178.09883	140.8
[M]-	178.09993	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe