CID 14462134

5-nonylresorcinol

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CCCCCCCCCC1=CC(=CC(=C1)O)O

InChI

InChI=1S/C15H24O2/c1-2-3-4-5-6-7-8-9-13-10-14(16)12-15(17)11-13/h10-12,16-17H,2-9H2,1H3

InChIKey

OYXWBGYHDYVIDT-UHFFFAOYSA-N

Compound name

5-nonylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 174
Patents: 236.17763 Da
Monoisotopic Mass: 5.8
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]+	237.18491	158.2
[M+Na]+	259.16685	164.0
[M-H]-	235.17035	158.5
[M+NH4]+	254.21145	175.1
[M+K]+	275.14079	159.9
[M+H-H2O]+	219.17489	152.1
[M+HCOO]-	281.17583	178.2
[M+CH3COO]-	295.19148	190.5
[M+Na-2H]-	257.15230	160.8
[M]+	236.17708	160.2
[M]-	236.17818	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe