CID 94759

2-bromo-n-decylacetamide

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	163.1
[M+Na]+	300.09335	170.5
[M-H]-	276.09685	164.8
[M+NH4]+	295.13795	182.6
[M+K]+	316.06729	158.8
[M+H-H2O]+	260.10139	161.7
[M+HCOO]-	322.10233	182.7
[M+CH3COO]-	336.11798	200.6
[M+Na-2H]-	298.07880	166.7
[M]+	277.10358	183.8
[M]-	277.10468	183.8

Literature stripe

literature stripe

Patent stripe

patents stripe