CID 68839

Bromamid

Structural Information

Molecular Formula

C₁₁H₁₅BrN₂O

SMILES

CN(C)C(=O)CCNC1=CC=C(C=C1)Br

InChI

InChI=1S/C11H15BrN2O/c1-14(2)11(15)7-8-13-10-5-3-9(12)4-6-10/h3-6,13H,7-8H2,1-2H3

InChIKey

ICBQXEWYZVQCFH-UHFFFAOYSA-N

Compound name

3-(4-bromoanilino)-N,N-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 174
Patents: 270.03677 Da
Monoisotopic Mass: 2.6
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]+	271.04405	153.9
[M+Na]+	293.02599	162.7
[M-H]-	269.02949	161.0
[M+NH4]+	288.07059	173.8
[M+K]+	308.99993	152.3
[M+H-H2O]+	253.03403	151.9
[M+HCOO]-	315.03497	176.8
[M+CH3COO]-	329.05062	202.2
[M+Na-2H]-	291.01144	159.5
[M]+	270.03622	172.9
[M]-	270.03732	172.9

Literature stripe

literature stripe

Patent stripe

patents stripe