CID 6447784

100399-51-7

Structural Information

Molecular Formula

C₁₁H₁₉BrO₂

SMILES

C(CCCCC(=O)O)CCC/C=C/Br

InChI

InChI=1S/C11H19BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h8,10H,1-7,9H2,(H,13,14)/b10-8+

InChIKey

PZRZUJZXSTZDBZ-CSKARUKUSA-N

Compound name

(E)-11-bromoundec-10-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 262.05685 Da
Monoisotopic Mass: 4.2
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]+	263.06413	156.6
[M+Na]+	285.04607	165.2
[M-H]-	261.04957	157.4
[M+NH4]+	280.09067	176.3
[M+K]+	301.02001	153.0
[M+H-H2O]+	245.05411	156.4
[M+HCOO]-	307.05505	174.7
[M+CH3COO]-	321.07070	191.8
[M+Na-2H]-	283.03152	160.3
[M]+	262.05630	176.7
[M]-	262.05740	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe