CID 10999251

63375-82-6

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

C1OC2=C(O1)C=C(C(=C2)CCN)Br

InChI

InChI=1S/C9H10BrNO2/c10-7-4-9-8(12-5-13-9)3-6(7)1-2-11/h3-4H,1-2,5,11H2

InChIKey

ONJSEBYNUNMRLB-UHFFFAOYSA-N

Compound name

2-(6-bromo-1,3-benzodioxol-5-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.98949 Da
Monoisotopic Mass: 1.7
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]+	243.99677	148.0
[M+Na]+	265.97871	150.4
[M+NH4]+	261.02331	153.1
[M+K]+	281.95265	152.4
[M-H]-	241.98221	151.0
[M+Na-2H]-	263.96416	148.8
[M]+	242.98894	147.9
[M]-	242.99004	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe