CID 104369

4,6-diethylresorcinol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CCC1=CC(=C(C=C1O)O)CC

InChI

InChI=1S/C10H14O2/c1-3-7-5-8(4-2)10(12)6-9(7)11/h5-6,11-12H,3-4H2,1-2H3

InChIKey

UACZNFSEKRCDDO-UHFFFAOYSA-N

Compound name

4,6-diethylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 166.09938 Da
Monoisotopic Mass: 2.8
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]+	167.106656	134.5
[M+Na]+	189.088598	143.4
[M-H]-	165.092104	136.2
[M+NH4]+	184.133203	154.7
[M+K]+	205.062538	140.6
[M+H-H2O]+	149.096640	129.8
[M+HCOO]-	211.097581	156.2
[M+CH3COO]-	225.113231	176.6
[M+Na-2H]-	187.074046	139.2
[M]+	166.09883142	135.1
[M]-	166.09992858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe