CID 102859

2-bromoundecanoic acid

Structural Information

Molecular Formula

C₁₁H₂₁BrO₂

SMILES

CCCCCCCCCC(C(=O)O)Br

InChI

InChI=1S/C11H21BrO2/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10H,2-9H2,1H3,(H,13,14)

InChIKey

NOLJPCPMOUBRJN-UHFFFAOYSA-N

Compound name

2-bromoundecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 264.07248 Da
Monoisotopic Mass: 5.1
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]+	265.079756	159.1
[M+Na]+	287.061698	167.1
[M-H]-	263.065204	159.9
[M+NH4]+	282.106303	178.6
[M+K]+	303.035638	155.9
[M+H-H2O]+	247.069740	158.8
[M+HCOO]-	309.070681	176.0
[M+CH3COO]-	323.086331	194.0
[M+Na-2H]-	285.047146	161.4
[M]+	264.07193142	179.3
[M]-	264.07302858	179.3

Literature stripe

literature stripe

Patent stripe

patents stripe