CID 57465250

Bk-mda

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

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

InChI

InChI=1S/C10H11NO3/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8/h2-4,6H,5,11H2,1H3

InChIKey

XDEZOLVDJWWXRG-UHFFFAOYSA-N

Compound name

2-amino-1-(1,3-benzodioxol-5-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 119
Patents: 193.0739 Da
Monoisotopic Mass: 0.8
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]+	194.08118	140.3
[M+Na]+	216.06312	150.6
[M+NH4]+	211.10772	148.2
[M+K]+	232.03706	148.8
[M-H]-	192.06662	144.3
[M+Na-2H]-	214.04857	143.3
[M]+	193.07335	142.7
[M]-	193.07445	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe