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 152.3
[M+Na]+ 279.99435 162.1
[M-H]- 255.99785 159.8
[M+NH4]+ 275.03895 170.8
[M+K]+ 295.96829 153.6
[M+H-H2O]+ 240.00239 151.7
[M+HCOO]- 302.00333 168.9
[M+CH3COO]- 316.01898 193.9
[M+Na-2H]- 277.97980 159.7
[M]+ 257.00458 169.5
[M]- 257.00568 169.5
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.