CID 44611437

Resorcinol compound 4

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

COC1=CC=C(C=C1)C2=C(C=C(C=C2)O)O

InChI

InChI=1S/C13H12O3/c1-16-11-5-2-9(3-6-11)12-7-4-10(14)8-13(12)15/h2-8,14-15H,1H3

InChIKey

QYQMHWNFXIXZGS-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 216.07864 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]+	217.08592	146.2
[M+Na]+	239.06786	161.0
[M+NH4]+	234.11246	154.6
[M+K]+	255.04180	154.2
[M-H]-	215.07136	150.0
[M+Na-2H]-	237.05331	155.0
[M]+	216.07809	149.4
[M]-	216.07919	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe