CID 77412

4-(octyloxy)phenol

Structural Information

Molecular Formula

C₁₄H₂₂O₂

SMILES

CCCCCCCCOC1=CC=C(C=C1)O

InChI

InChI=1S/C14H22O2/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h8-11,15H,2-7,12H2,1H3

InChIKey

HFRUPPHPJRZOCM-UHFFFAOYSA-N

Compound name

4-octoxyphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 766
Patents: 222.16199 Da
Monoisotopic Mass: 5.1
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]+	223.16927	153.6
[M+Na]+	245.15121	159.3
[M-H]-	221.15471	155.1
[M+NH4]+	240.19581	171.5
[M+K]+	261.12515	156.3
[M+H-H2O]+	205.15925	147.2
[M+HCOO]-	267.16019	175.4
[M+CH3COO]-	281.17584	188.9
[M+Na-2H]-	243.13666	157.9
[M]+	222.16144	156.7
[M]-	222.16254	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe