CID 18699242

1-(4-bromo-2-methoxyphenyl)ethan-1-amine

Structural Information

Molecular Formula
C9H12BrNO
SMILES
CC(C1=C(C=C(C=C1)Br)OC)N
InChI
InChI=1S/C9H12BrNO/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-6H,11H2,1-2H3
InChIKey
YNTNFAMPGFYIOW-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

229.01022 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01750 141.3
[M+Na]+ 251.99944 144.2
[M+NH4]+ 247.04404 146.3
[M+K]+ 267.97338 144.4
[M-H]- 228.00294 142.4
[M+Na-2H]- 249.98489 144.7
[M]+ 229.00967 140.8
[M]- 229.01077 140.8
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