CID 87876

3-butoxyphenol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CCCCOC1=CC=CC(=C1)O

InChI

InChI=1S/C10H14O2/c1-2-3-7-12-10-6-4-5-9(11)8-10/h4-6,8,11H,2-3,7H2,1H3

InChIKey

VGIJZDWQVCXVNL-UHFFFAOYSA-N

Compound name

3-butoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1664
Patents: 166.09938 Da
Monoisotopic Mass: 3.0
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]+	167.10666	135.0
[M+Na]+	189.08860	142.5
[M-H]-	165.09210	137.3
[M+NH4]+	184.13320	155.2
[M+K]+	205.06254	140.5
[M+H-H2O]+	149.09664	129.5
[M+HCOO]-	211.09758	158.2
[M+CH3COO]-	225.11323	176.8
[M+Na-2H]-	187.07405	141.6
[M]+	166.09883	136.7
[M]-	166.09993	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe