CID 46831332

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

Structural Information

Molecular Formula
C9H12BrNO
SMILES
COC1=CC(=C(C=C1)Br)CCN
InChI
InChI=1S/C9H12BrNO/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKey
DKOJHGDTHVOSEO-UHFFFAOYSA-N
Compound name
2-(2-bromo-5-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

229.01022 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.017496 142.0
[M+Na]+ 251.999438 153.3
[M-H]- 228.002944 147.9
[M+NH4]+ 247.044043 163.5
[M+K]+ 267.973378 142.1
[M+H-H2O]+ 212.007480 141.5
[M+HCOO]- 274.008421 164.4
[M+CH3COO]- 288.024071 189.8
[M+Na-2H]- 249.984886 148.8
[M]+ 229.00967142 160.7
[M]- 229.01076858 160.7
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