CID 221194

5-(benzyloxy)pentan-1-ol

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

C1=CC=C(C=C1)COCCCCCO

InChI

InChI=1S/C12H18O2/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2

InChIKey

RZVDPWSEPVHOPU-UHFFFAOYSA-N

Compound name

5-phenylmethoxypentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 587
Patents: 194.13068 Da
Monoisotopic Mass: 2.0
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]+	195.13796	144.8
[M+Na]+	217.11990	150.4
[M-H]-	193.12340	146.3
[M+NH4]+	212.16450	163.5
[M+K]+	233.09384	147.9
[M+H-H2O]+	177.12794	138.6
[M+HCOO]-	239.12888	167.3
[M+CH3COO]-	253.14453	181.8
[M+Na-2H]-	215.10535	150.9
[M]+	194.13013	146.8
[M]-	194.13123	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe