CID 26975

4-pentylphenol

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CCCCCC1=CC=C(C=C1)O

InChI

InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3

InChIKey

ZNPSUQQXTRRSBM-UHFFFAOYSA-N

Compound name

4-pentylphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 31
References: 23721
Patents: 164.12012 Da
Monoisotopic Mass: 3.7
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	136.3
[M+Na]+	187.10934	143.5
[M-H]-	163.11284	138.5
[M+NH4]+	182.15394	156.7
[M+K]+	203.08328	140.7
[M+H-H2O]+	147.11738	130.9
[M+HCOO]-	209.11832	159.0
[M+CH3COO]-	223.13397	177.9
[M+Na-2H]-	185.09479	142.4
[M]+	164.11957	137.0
[M]-	164.12067	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe