CID 21218060

Schembl6561244

Structural Information

Molecular Formula

C₂₀H₂₆O₂

SMILES

CCCCC(CCC)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C20H26O2/c1-3-5-15-20(14-4-2,16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h6-13,21-22H,3-5,14-15H2,1-2H3

InChIKey

UYMFGDDHLZKCRL-UHFFFAOYSA-N

Compound name

4-[4-(4-hydroxyphenyl)octan-4-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 298.19327 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]+	299.200546	174.4
[M+Na]+	321.182488	179.7
[M-H]-	297.185994	177.9
[M+NH4]+	316.227093	188.4
[M+K]+	337.156428	174.3
[M+H-H2O]+	281.190530	167.2
[M+HCOO]-	343.191471	192.6
[M+CH3COO]-	357.207121	201.7
[M+Na-2H]-	319.167936	177.6
[M]+	298.19272142	175.0
[M]-	298.19381858	175.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe