CID 3020817

4,6-dicyclohexylresorcinol

Structural Information

Molecular Formula

C₁₈H₂₆O₂

SMILES

C1CCC(CC1)C2=CC(=C(C=C2O)O)C3CCCCC3

InChI

InChI=1S/C18H26O2/c19-17-12-18(20)16(14-9-5-2-6-10-14)11-15(17)13-7-3-1-4-8-13/h11-14,19-20H,1-10H2

InChIKey

GYERJOGJSQRWET-UHFFFAOYSA-N

Compound name

4,6-dicyclohexylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 274.19327 Da
Monoisotopic Mass: 6.3
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]+	275.200546	167.1
[M+Na]+	297.182488	168.9
[M-H]-	273.185994	172.4
[M+NH4]+	292.227093	181.2
[M+K]+	313.156428	164.1
[M+H-H2O]+	257.190530	159.1
[M+HCOO]-	319.191471	180.1
[M+CH3COO]-	333.207121	194.7
[M+Na-2H]-	295.167936	166.3
[M]+	274.19272142	156.6
[M]-	274.19381858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe