CID 90458

4-dodecylresorcinol

Structural Information

Molecular Formula

C₁₈H₃₀O₂

SMILES

CCCCCCCCCCCCC1=C(C=C(C=C1)O)O

InChI

InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)20/h13-15,19-20H,2-12H2,1H3

InChIKey

JJWVPHWHEGQZOE-UHFFFAOYSA-N

Compound name

4-dodecylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 471
Patents: 278.22458 Da
Monoisotopic Mass: 6.7
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]+	279.23186	171.4
[M+Na]+	301.21380	182.3
[M+NH4]+	296.25840	178.3
[M+K]+	317.18774	174.1
[M-H]-	277.21730	172.6
[M+Na-2H]-	299.19925	175.3
[M]+	278.22403	173.2
[M]-	278.22513	173.2

Literature stripe

literature stripe

Patent stripe

patents stripe