CID 297310

N-acetyl-3,4-methylenedioxyamphetamine

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

CC(CC1=CC2=C(C=C1)OCO2)NC(=O)C

InChI

InChI=1S/C12H15NO3/c1-8(13-9(2)14)5-10-3-4-11-12(6-10)16-7-15-11/h3-4,6,8H,5,7H2,1-2H3,(H,13,14)

InChIKey

RSXXYTIHSOOFBG-UHFFFAOYSA-N

Compound name

N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 221.1052 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]+	222.11248	149.4
[M+Na]+	244.09442	159.5
[M+NH4]+	239.13902	157.1
[M+K]+	260.06836	157.0
[M-H]-	220.09792	153.4
[M+Na-2H]-	242.07987	152.3
[M]+	221.10465	151.7
[M]-	221.10575	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe