CID 3070202

Brn 5528334

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

CC1=C(C(=C(C(=C1O)C)CC(=O)C)O)C

InChI

InChI=1S/C12H16O3/c1-6(13)5-10-9(4)11(14)7(2)8(3)12(10)15/h14-15H,5H2,1-4H3

InChIKey

ZNRGBDFDRJYSSK-UHFFFAOYSA-N

Compound name

1-(2,5-dihydroxy-3,4,6-trimethylphenyl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.10994 Da
Monoisotopic Mass: 1.9
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]+	209.117216	143.5
[M+Na]+	231.099158	153.4
[M-H]-	207.102664	145.8
[M+NH4]+	226.143763	162.4
[M+K]+	247.073098	150.7
[M+H-H2O]+	191.107200	138.9
[M+HCOO]-	253.108141	163.9
[M+CH3COO]-	267.123791	187.4
[M+Na-2H]-	229.084606	144.6
[M]+	208.10939142	145.8
[M]-	208.11048858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe