CID 217261

38339-28-5

Structural Information

Molecular Formula

C₁₀H₁₄Br₂N₂O

SMILES

CN(C)CC(C1=CC(=C(C(=C1)Br)N)Br)O

InChI

InChI=1S/C10H14Br2N2O/c1-14(2)5-9(15)6-3-7(11)10(13)8(12)4-6/h3-4,9,15H,5,13H2,1-2H3

InChIKey

VHYSJZPQAMZRNX-UHFFFAOYSA-N

Compound name

1-(4-amino-3,5-dibromophenyl)-2-(dimethylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 335.9473 Da
Monoisotopic Mass: 1.8
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]+	336.954576	155.3
[M+Na]+	358.936518	164.1
[M-H]-	334.940024	161.3
[M+NH4]+	353.981123	172.3
[M+K]+	374.910458	148.0
[M+H-H2O]+	318.944560	160.5
[M+HCOO]-	380.945501	170.5
[M+CH3COO]-	394.961151	214.6
[M+Na-2H]-	356.921966	158.3
[M]+	335.94675142	187.6
[M]-	335.94784858	187.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe