CID 10017554

219986-75-1

Structural Information

Molecular Formula

C₁₃H₁₆BrNO₂

SMILES

CC(CC1=C2CCOC2=C(C3=C1OCC3)Br)N

InChI

InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3

InChIKey

FKRREVSELFOLDT-UHFFFAOYSA-N

Compound name

1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 6
Patents: 297.03644 Da
Monoisotopic Mass: 2.4
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]+	298.043716	169.4
[M+Na]+	320.025658	180.1
[M-H]-	296.029164	177.9
[M+NH4]+	315.070263	190.9
[M+K]+	335.999598	171.0
[M+H-H2O]+	280.033700	170.5
[M+HCOO]-	342.034641	186.3
[M+CH3COO]-	356.050291	183.1
[M+Na-2H]-	318.011106	172.2
[M]+	297.03589142	188.0
[M]-	297.03698858	188.0

Literature stripe

literature stripe

Patent stripe

patents stripe