CID 208044

31558-38-0

Structural Information

Molecular Formula

C₁₁H₁₆BrNO₂

SMILES

CC(CC1=CC(=C(C(=C1)OC)Br)OC)N

InChI

InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-9(14-2)11(12)10(6-8)15-3/h5-7H,4,13H2,1-3H3

InChIKey

FAVLJTSHWBEOMA-UHFFFAOYSA-N

Compound name

1-(4-bromo-3,5-dimethoxyphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 143
Patents: 273.03644 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.04372	154.1
[M+Na]+	296.02566	165.0
[M-H]-	272.02916	160.1
[M+NH4]+	291.07026	174.0
[M+K]+	311.99960	154.3
[M+H-H2O]+	256.03370	153.1
[M+HCOO]-	318.03464	175.0
[M+CH3COO]-	332.05029	199.3
[M+Na-2H]-	294.01111	157.9
[M]+	273.03589	174.5
[M]-	273.03699	174.5

Literature stripe

literature stripe

Patent stripe

patents stripe