CID 3490858

4-(dodecyloxy)phenol

Structural Information

Molecular Formula

C₁₈H₃₀O₂

SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)O

InChI

InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-16-20-18-14-12-17(19)13-15-18/h12-15,19H,2-11,16H2,1H3

InChIKey

FHXJDKPJCDJBEM-UHFFFAOYSA-N

Compound name

4-dodecoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1172
Patents: 278.22458 Da
Monoisotopic Mass: 7.3
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]+	279.23186	171.9
[M+Na]+	301.21380	175.8
[M-H]-	277.21730	172.6
[M+NH4]+	296.25840	187.5
[M+K]+	317.18774	171.8
[M+H-H2O]+	261.22184	164.6
[M+HCOO]-	323.22278	192.3
[M+CH3COO]-	337.23843	200.9
[M+Na-2H]-	299.19925	174.0
[M]+	278.22403	176.4
[M]-	278.22513	176.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe