CID 134815855

Garcinuntabiphenyl a

Structural Information

Molecular Formula

C₁₄H₁₄O₄

SMILES

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

InChI

InChI=1S/C14H14O4/c1-17-11-8-10(9-6-4-3-5-7-9)12(15)14(18-2)13(11)16/h3-8,15-16H,1-2H3

InChIKey

YAQWUQMCWGRDPA-UHFFFAOYSA-N

Compound name

2,4-dimethoxy-6-phenylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 246.0892 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]+	247.09648	152.5
[M+Na]+	269.07842	161.6
[M-H]-	245.08192	157.6
[M+NH4]+	264.12302	169.0
[M+K]+	285.05236	158.5
[M+H-H2O]+	229.08646	145.7
[M+HCOO]-	291.08740	174.7
[M+CH3COO]-	305.10305	190.0
[M+Na-2H]-	267.06387	156.8
[M]+	246.08865	155.2
[M]-	246.08975	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.