CID 79982248

1504288-64-5

Structural Information

Molecular Formula
C11H14BrNO
SMILES
CC(C)NC1COC2=C1C=CC(=C2)Br
InChI
InChI=1S/C11H14BrNO/c1-7(2)13-10-6-14-11-5-8(12)3-4-9(10)11/h3-5,7,10,13H,6H2,1-2H3
InChIKey
JZLPMPZTYSYAGA-UHFFFAOYSA-N
Compound name
6-bromo-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 154.2
[M+Na]+ 278.01510 164.9
[M-H]- 254.01860 161.8
[M+NH4]+ 273.05970 176.3
[M+K]+ 293.98904 155.0
[M+H-H2O]+ 238.02314 154.2
[M+HCOO]- 300.02408 174.0
[M+CH3COO]- 314.03973 194.7
[M+Na-2H]- 276.00055 160.1
[M]+ 255.02533 172.8
[M]- 255.02643 172.8
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.