CID 165943357

2680542-06-5

Structural Information

Molecular Formula
C12H16BrNO
SMILES
CC(C)CC1C(C2=C(O1)C=C(C=C2)Br)N
InChI
InChI=1S/C12H16BrNO/c1-7(2)5-11-12(14)9-4-3-8(13)6-10(9)15-11/h3-4,6-7,11-12H,5,14H2,1-2H3
InChIKey
AIVQYMSDWZPKMU-UHFFFAOYSA-N
Compound name
6-bromo-2-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04153 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04881 159.7
[M+Na]+ 292.03075 170.7
[M-H]- 268.03425 167.0
[M+NH4]+ 287.07535 181.2
[M+K]+ 308.00469 160.2
[M+H-H2O]+ 252.03879 159.6
[M+HCOO]- 314.03973 178.5
[M+CH3COO]- 328.05538 198.0
[M+Na-2H]- 290.01620 163.3
[M]+ 269.04098 177.9
[M]- 269.04208 177.9
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.