CID 560452

Ethyl 10-bromodecanoate

Structural Information

Molecular Formula

C₁₂H₂₃BrO₂

SMILES

CCOC(=O)CCCCCCCCCBr

InChI

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

InChIKey

VWHLKJQERLYMNA-UHFFFAOYSA-N

Compound name

ethyl 10-bromodecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 278.08813 Da
Monoisotopic Mass: 4.4
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

No literature data available for this compound.

Patent stripe

patents stripe