CID 82100370

4-bromoethcathinone

Structural Information

Molecular Formula

C₁₁H₁₄BrNO

SMILES

CCNC(C)C(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C11H14BrNO/c1-3-13-8(2)11(14)9-4-6-10(12)7-5-9/h4-8,13H,3H2,1-2H3

InChIKey

QHHVZFYRRDYLJB-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)-2-(ethylamino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 255.02588 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]+	256.033156	150.7
[M+Na]+	278.015098	160.0
[M-H]-	254.018604	156.6
[M+NH4]+	273.059703	170.9
[M+K]+	293.989038	149.0
[M+H-H2O]+	238.023140	149.8
[M+HCOO]-	300.024081	171.3
[M+CH3COO]-	314.039731	195.8
[M+Na-2H]-	276.000546	155.7
[M]+	255.02533142	168.8
[M]-	255.02642858	168.8

Literature stripe

literature stripe

Patent stripe

patents stripe