CID 2250524

140843-58-9

Structural Information

Molecular Formula

C₁₀H₁₄BrNO₂

SMILES

CNCC1=CC(=C(C=C1Br)OC)OC

InChI

InChI=1S/C10H14BrNO2/c1-12-6-7-4-9(13-2)10(14-3)5-8(7)11/h4-5,12H,6H2,1-3H3

InChIKey

QDMGVCWPBUXVHN-UHFFFAOYSA-N

Compound name

1-(2-bromo-4,5-dimethoxyphenyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 259.02078 Da
Monoisotopic Mass: 1.9
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]+	260.02806	147.8
[M+Na]+	282.01000	159.4
[M-H]-	258.01350	154.4
[M+NH4]+	277.05460	168.6
[M+K]+	297.98394	148.8
[M+H-H2O]+	242.01804	147.0
[M+HCOO]-	304.01898	170.6
[M+CH3COO]-	318.03463	196.3
[M+Na-2H]-	279.99545	154.4
[M]+	259.02023	169.5
[M]-	259.02133	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe