CID 3044298

56979-73-8

Structural Information

Molecular Formula

C₉H₁₂O₄

SMILES

COC1=C(C=C(C=C1)O)C(CO)O

InChI

InChI=1S/C9H12O4/c1-13-9-3-2-6(11)4-7(9)8(12)5-10/h2-4,8,10-12H,5H2,1H3

InChIKey

DZSHGQHHHVLRIU-UHFFFAOYSA-N

Compound name

1-(5-hydroxy-2-methoxyphenyl)ethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.07356 Da
Monoisotopic Mass: 0.0
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]+	185.080836	137.4
[M+Na]+	207.062778	144.9
[M-H]-	183.066284	137.5
[M+NH4]+	202.107383	155.5
[M+K]+	223.036718	143.0
[M+H-H2O]+	167.070820	132.3
[M+HCOO]-	229.071761	157.3
[M+CH3COO]-	243.087411	175.0
[M+Na-2H]-	205.048226	141.5
[M]+	184.07301142	137.6
[M]-	184.07410858	137.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.