CID 142712

10-bromodecanoic acid

Structural Information

Molecular Formula

C₁₀H₁₉BrO₂

SMILES

C(CCCCC(=O)O)CCCCBr

InChI

InChI=1S/C10H19BrO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)

InChIKey

PGVRSPIEZYGOAD-UHFFFAOYSA-N

Compound name

10-bromodecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 609
Patents: 250.05684 Da
Monoisotopic Mass: 4.0
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]+	251.064116	153.7
[M+Na]+	273.046058	162.3
[M-H]-	249.049564	154.6
[M+NH4]+	268.090663	173.8
[M+K]+	289.019998	151.0
[M+H-H2O]+	233.054100	153.6
[M+HCOO]-	295.055041	171.9
[M+CH3COO]-	309.070691	190.5
[M+Na-2H]-	271.031506	157.8
[M]+	250.05629142	174.2
[M]-	250.05738858	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe