CID 48373

66922-69-8

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

CC(=O)C1=CC2=C(C(=C1)OC)OCO2

InChI

InChI=1S/C10H10O4/c1-6(11)7-3-8(12-2)10-9(4-7)13-5-14-10/h3-4H,5H2,1-2H3

InChIKey

MLPLZAMGYMIKDU-UHFFFAOYSA-N

Compound name

1-(7-methoxy-1,3-benzodioxol-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 194.0579 Da
Monoisotopic Mass: 1.4
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]+	195.06518	137.4
[M+Na]+	217.04712	149.5
[M+NH4]+	212.09172	145.6
[M+K]+	233.02106	147.1
[M-H]-	193.05062	141.1
[M+Na-2H]-	215.03257	141.0
[M]+	194.05735	140.1
[M]-	194.05845	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe