CID 10467594

Obtusaquinol

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

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

InChI

InChI=1S/C16H16O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-10,12,17-18H,1H2,2H3

InChIKey

OUERCVVUXKKXCW-UHFFFAOYSA-N

Compound name

2-methoxy-5-(1-phenylprop-2-enyl)benzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 256.10995 Da
Monoisotopic Mass: 3.7
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]+	257.117226	157.8
[M+Na]+	279.099168	165.3
[M-H]-	255.102674	162.2
[M+NH4]+	274.143773	173.5
[M+K]+	295.073108	160.9
[M+H-H2O]+	239.107210	150.9
[M+HCOO]-	301.108151	178.3
[M+CH3COO]-	315.123801	192.7
[M+Na-2H]-	277.084616	160.5
[M]+	256.10940142	158.0
[M]-	256.11049858	158.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.