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]+ 256.033156 154.2
[M+Na]+ 278.015098 164.9
[M-H]- 254.018604 161.8
[M+NH4]+ 273.059703 176.3
[M+K]+ 293.989038 155.0
[M+H-H2O]+ 238.023140 154.2
[M+HCOO]- 300.024081 174.0
[M+CH3COO]- 314.039731 194.7
[M+Na-2H]- 276.000546 160.1
[M]+ 255.02533142 172.8
[M]- 255.02642858 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.