CID 3338

Fenipentol

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CCCCC(C1=CC=CC=C1)O

InChI

InChI=1S/C11H16O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3

InChIKey

OVGORFFCBUIFIA-UHFFFAOYSA-N

Compound name

1-phenylpentan-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 38
References: 30194
Patents: 164.12012 Da
Monoisotopic Mass: 2.9
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]+	165.12740	137.4
[M+Na]+	187.10934	143.3
[M-H]-	163.11284	139.3
[M+NH4]+	182.15394	157.4
[M+K]+	203.08328	141.0
[M+H-H2O]+	147.11738	131.8
[M+HCOO]-	209.11832	159.1
[M+CH3COO]-	223.13397	177.6
[M+Na-2H]-	185.09479	142.9
[M]+	164.11957	137.0
[M]-	164.12067	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe