CID 44611570

Resorcinol compound 9

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1=CC(=C(C=C1O)O)CC2=COC=C2

InChI

InChI=1S/C11H10O3/c12-10-2-1-9(11(13)6-10)5-8-3-4-14-7-8/h1-4,6-7,12-13H,5H2

InChIKey

LOAGBHXAWVQEGF-UHFFFAOYSA-N

Compound name

4-(furan-3-ylmethyl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 190.06299 Da
Monoisotopic Mass: 2.2
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]+	191.07027	137.5
[M+Na]+	213.05221	146.4
[M-H]-	189.05571	143.1
[M+NH4]+	208.09681	156.4
[M+K]+	229.02615	144.1
[M+H-H2O]+	173.06025	132.1
[M+HCOO]-	235.06119	160.5
[M+CH3COO]-	249.07684	176.2
[M+Na-2H]-	211.03766	143.4
[M]+	190.06244	138.4
[M]-	190.06354	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe