CID 5376915

73387-60-7

Structural Information

Molecular Formula

C₁₁H₁₂BrNO

SMILES

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

InChI

InChI=1S/C11H12BrNO/c1-13(2)8-7-11(14)9-3-5-10(12)6-4-9/h3-8H,1-2H3/b8-7+

InChIKey

IGZLESKZUATMSD-BQYQJAHWSA-N

Compound name

(E)-1-(4-bromophenyl)-3-(dimethylamino)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 106
Patents: 253.01022 Da
Monoisotopic Mass: 2.7
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]+	254.01750	145.7
[M+Na]+	275.99944	148.5
[M+NH4]+	271.04404	150.4
[M+K]+	291.97338	148.4
[M-H]-	252.00294	146.8
[M+Na-2H]-	273.98489	149.4
[M]+	253.00967	145.1
[M]-	253.01077	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe