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: 50
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]+	217.085916	145.0
[M+Na]+	239.067858	153.9
[M-H]-	215.071364	150.0
[M+NH4]+	234.112463	162.6
[M+K]+	255.041798	150.3
[M+H-H2O]+	199.075900	138.6
[M+HCOO]-	261.076841	167.4
[M+CH3COO]-	275.092491	183.6
[M+Na-2H]-	237.053306	150.7
[M]+	216.07809142	145.6
[M]-	216.07918858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe