CID 533915

4-bromophenethylamine

Structural Information

Molecular Formula
C8H10BrN
SMILES
C1=CC(=CC=C1CCN)Br
InChI
InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey
ZSZCXAOQVBEPME-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2094
Patents

198.99966 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00694 134.9
[M+Na]+ 221.98888 138.4
[M+NH4]+ 217.03348 140.7
[M+K]+ 237.96282 137.5
[M-H]- 197.99238 136.7
[M+Na-2H]- 219.97433 139.4
[M]+ 198.99911 134.7
[M]- 199.00021 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe