CID 19711338

133433-62-2

Structural Information

Molecular Formula

C₁₀H₁₁BrN₂O

SMILES

CC(=O)N1CCC2=C1C(=CC(=C2)Br)N

InChI

InChI=1S/C10H11BrN2O/c1-6(14)13-3-2-7-4-8(11)5-9(12)10(7)13/h4-5H,2-3,12H2,1H3

InChIKey

DBKBKWSBFWROLO-UHFFFAOYSA-N

Compound name

1-(7-amino-5-bromo-2,3-dihydroindol-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 254.00548 Da
Monoisotopic Mass: 1.3
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]+	255.01276	151.0
[M+Na]+	276.99470	152.8
[M+NH4]+	272.03930	155.6
[M+K]+	292.96864	154.7
[M-H]-	252.99820	151.1
[M+Na-2H]-	274.98015	151.9
[M]+	254.00493	149.9
[M]-	254.00603	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe