CID 10609476

2-(3-bromo-5-methoxyphenyl)ethanamine

Structural Information

Molecular Formula
C9H12BrNO
SMILES
COC1=CC(=CC(=C1)CCN)Br
InChI
InChI=1S/C9H12BrNO/c1-12-9-5-7(2-3-11)4-8(10)6-9/h4-6H,2-3,11H2,1H3
InChIKey
SVHXNUJVCRLXGF-UHFFFAOYSA-N
Compound name
2-(3-bromo-5-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

229.01022 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01750 142.4
[M+Na]+ 251.99944 145.6
[M+NH4]+ 247.04404 147.5
[M+K]+ 267.97338 145.0
[M-H]- 228.00294 143.7
[M+Na-2H]- 249.98489 146.0
[M]+ 229.00967 142.0
[M]- 229.01077 142.0
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

patents stripe