CID 79983494

2680537-29-3

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

CCC1C(C2=C(O1)C=C(C=C2)Br)N

InChI

InChI=1S/C10H12BrNO/c1-2-8-10(12)7-4-3-6(11)5-9(7)13-8/h3-5,8,10H,2,12H2,1H3

InChIKey

UIWMYSLDMCUPGG-UHFFFAOYSA-N

Compound name

6-bromo-2-ethyl-2,3-dihydro-1-benzofuran-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 241.01022 Da
Monoisotopic Mass: 2.2
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]+	242.017496	149.1
[M+Na]+	263.999438	161.3
[M-H]-	240.002944	156.7
[M+NH4]+	259.044043	171.8
[M+K]+	279.973378	150.8
[M+H-H2O]+	224.007480	149.4
[M+HCOO]-	286.008421	169.6
[M+CH3COO]-	300.024071	191.5
[M+Na-2H]-	261.984886	155.1
[M]+	241.00967142	167.4
[M]-	241.01076858	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe