CID 11020041

1-hexen-3-ol, 6-(phenylmethoxy)-

Structural Information

Molecular Formula

C₁₃H₁₈O₂

SMILES

C=CC(CCCOCC1=CC=CC=C1)O

InChI

InChI=1S/C13H18O2/c1-2-13(14)9-6-10-15-11-12-7-4-3-5-8-12/h2-5,7-8,13-14H,1,6,9-11H2

InChIKey

HMPNYJBASMRXRZ-UHFFFAOYSA-N

Compound name

6-phenylmethoxyhex-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.13068 Da
Monoisotopic Mass: 2.3
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]+	207.13796	148.7
[M+Na]+	229.11990	160.1
[M+NH4]+	224.16450	156.4
[M+K]+	245.09384	153.1
[M-H]-	205.12340	150.0
[M+Na-2H]-	227.10535	154.5
[M]+	206.13013	150.6
[M]-	206.13123	150.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.