CID 132988634

2702151-27-5

Structural Information

Molecular Formula

C₁₂H₁₅NO₄

SMILES

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

InChI

InChI=1S/C12H15NO4/c1-7(13-2)11(14)8-4-9(15-3)12-10(5-8)16-6-17-12/h4-5,7,13H,6H2,1-3H3

InChIKey

MPMHRFOOZMFFBD-UHFFFAOYSA-N

Compound name

1-(7-methoxy-1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.10011 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]+	238.107386	152.7
[M+Na]+	260.089328	159.7
[M-H]-	236.092834	158.6
[M+NH4]+	255.133933	170.3
[M+K]+	276.063268	160.8
[M+H-H2O]+	220.097370	147.0
[M+HCOO]-	282.098311	173.5
[M+CH3COO]-	296.113961	194.8
[M+Na-2H]-	258.074776	157.4
[M]+	237.09956142	156.8
[M]-	237.10065858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.