CID 15420

4-butylphenol

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CCCCC1=CC=C(C=C1)O

InChI

InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3

InChIKey

CYYZDBDROVLTJU-UHFFFAOYSA-N

Compound name

4-butylphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 32
References: 24022
Patents: 150.10446 Da
Monoisotopic Mass: 3.4
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]+	151.11174	131.9
[M+Na]+	173.09368	145.1
[M+NH4]+	168.13828	141.1
[M+K]+	189.06762	137.8
[M-H]-	149.09718	134.4
[M+Na-2H]-	171.07913	139.3
[M]+	150.10391	134.5
[M]-	150.10501	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe