CID 134815913

Garcinuntabiphenyl c

Structural Information

Molecular Formula

C₁₅H₁₆O₄

SMILES

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

InChI

InChI=1S/C15H16O4/c1-17-12-9-11(10-7-5-4-6-8-10)14(18-2)15(19-3)13(12)16/h4-9,16H,1-3H3

InChIKey

RWDXCOCBLZGBEF-UHFFFAOYSA-N

Compound name

2,3,6-trimethoxy-4-phenylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 260.10486 Da
Monoisotopic Mass: 3.1
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]+	261.112136	156.6
[M+Na]+	283.094078	165.7
[M-H]-	259.097584	162.9
[M+NH4]+	278.138683	173.2
[M+K]+	299.068018	163.3
[M+H-H2O]+	243.102120	149.3
[M+HCOO]-	305.103061	180.0
[M+CH3COO]-	319.118711	195.4
[M+Na-2H]-	281.079526	160.9
[M]+	260.10431142	161.5
[M]-	260.10540858	161.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.