CID 83810

13909-73-4

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

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

InChI

InChI=1S/C11H14O4/c1-7(12)8-5-6-9(13-2)11(15-4)10(8)14-3/h5-6H,1-4H3

InChIKey

PKNAATJMQOUREZ-UHFFFAOYSA-N

Compound name

1-(2,3,4-trimethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 120
Patents: 210.0892 Da
Monoisotopic Mass: 1.6
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]+	211.09648	142.0
[M+Na]+	233.07842	151.2
[M-H]-	209.08192	146.5
[M+NH4]+	228.12302	161.5
[M+K]+	249.05236	151.0
[M+H-H2O]+	193.08646	136.3
[M+HCOO]-	255.08740	166.1
[M+CH3COO]-	269.10305	189.0
[M+Na-2H]-	231.06387	146.1
[M]+	210.08865	148.4
[M]-	210.08975	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe