CID 9952938

(s)-1-(3-bromophenyl)ethanamine

Structural Information

Molecular Formula
C8H10BrN
SMILES
C[C@@H](C1=CC(=CC=C1)Br)N
InChI
InChI=1S/C8H10BrN/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,10H2,1H3/t6-/m0/s1
InChIKey
LIBZHYLTOAGURM-LURJTMIESA-N
Compound name
(1S)-1-(3-bromophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

673
Patents

198.99966 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.006936 135.8
[M+Na]+ 221.988878 146.5
[M-H]- 197.992384 141.8
[M+NH4]+ 217.033483 158.2
[M+K]+ 237.962818 135.5
[M+H-H2O]+ 181.996920 135.8
[M+HCOO]- 243.997861 157.4
[M+CH3COO]- 258.013511 184.8
[M+Na-2H]- 219.974326 142.7
[M]+ 198.99911142 151.9
[M]- 199.00020858 151.9
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