CID 228695

Decyl 2-bromoacetate

Structural Information

Molecular Formula

C₁₂H₂₃BrO₂

SMILES

CCCCCCCCCCOC(=O)CBr

InChI

InChI=1S/C12H23BrO2/c1-2-3-4-5-6-7-8-9-10-15-12(14)11-13/h2-11H2,1H3

InChIKey

OMRFZIDOMSMRSP-UHFFFAOYSA-N

Compound name

decyl 2-bromoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 278.08813 Da
Monoisotopic Mass: 5.3
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]+	279.09541	161.2
[M+Na]+	301.07735	161.4
[M+NH4]+	296.12195	164.4
[M+K]+	317.05129	160.6
[M-H]-	277.08085	158.9
[M+Na-2H]-	299.06280	160.4
[M]+	278.08758	159.2
[M]-	278.08868	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe