CID 3899123

1-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
CC(C1=CC2=C(C=C1Br)OCCO2)N
InChI
InChI=1S/C10H12BrNO2/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-6H,2-3,12H2,1H3
InChIKey
SBPUSYVUVAJQNG-UHFFFAOYSA-N
Compound name
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.00513 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 146.8
[M+Na]+ 279.99435 149.8
[M+NH4]+ 275.03895 152.0
[M+K]+ 295.96829 150.7
[M-H]- 255.99785 150.4
[M+Na-2H]- 277.97980 148.4
[M]+ 257.00458 147.1
[M]- 257.00568 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.