CID 94759

2-bromo-n-decyl-acetamide

Structural Information

Molecular Formula

C₁₂H₂₄BrNO

SMILES

CCCCCCCCCCNC(=O)CBr

InChI

InChI=1S/C12H24BrNO/c1-2-3-4-5-6-7-8-9-10-14-12(15)11-13/h2-11H2,1H3,(H,14,15)

InChIKey

RZTGBAJAVREPOB-UHFFFAOYSA-N

Compound name

2-bromo-N-decylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 277.10413 Da
Monoisotopic Mass: 4.8
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]+	278.11141	162.9
[M+Na]+	300.09335	162.3
[M+NH4]+	295.13795	166.1
[M+K]+	316.06729	161.3
[M-H]-	276.09685	161.2
[M+Na-2H]-	298.07880	162.1
[M]+	277.10358	160.8
[M]-	277.10468	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe