CID 5714072

1203648-40-1

Structural Information

Molecular Formula

C₁₁H₁₂BrNO

SMILES

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

InChI

InChI=1S/C11H12BrNO/c1-13(2)7-6-11(14)9-4-3-5-10(12)8-9/h3-8H,1-2H3/b7-6+

InChIKey

FBICCVMQKCGCST-VOTSOKGWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
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	148.2
[M+Na]+	275.99944	158.4
[M-H]-	252.00294	155.6
[M+NH4]+	271.04404	169.2
[M+K]+	291.97338	147.8
[M+H-H2O]+	236.00748	147.4
[M+HCOO]-	298.00842	170.5
[M+CH3COO]-	312.02407	196.8
[M+Na-2H]-	273.98489	153.9
[M]+	253.00967	167.4
[M]-	253.01077	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe