CID 98310

2-bromodecanoic acid

Structural Information

Molecular Formula

C₁₀H₁₉BrO₂

SMILES

CCCCCCCCC(C(=O)O)Br

InChI

InChI=1S/C10H19BrO2/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)

InChIKey

KNLOTZNPRIFUAR-UHFFFAOYSA-N

Compound name

2-bromodecanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 253
Patents: 250.05684 Da
Monoisotopic Mass: 4.6
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]+	251.06412	152.1
[M+Na]+	273.04606	151.9
[M+NH4]+	268.09066	155.2
[M+K]+	289.02000	152.6
[M-H]-	249.04956	149.3
[M+Na-2H]-	271.03151	151.0
[M]+	250.05629	149.8
[M]-	250.05739	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe