CID 54259317

6-(dihydroxyboranyl)hexanoic acid

Structural Information

Molecular Formula

C₆H₁₃BO₄

SMILES

B(CCCCCC(=O)O)(O)O

InChI

InChI=1S/C6H13BO4/c8-6(9)4-2-1-3-5-7(10)11/h10-11H,1-5H2,(H,8,9)

InChIKey

RCIVCQNKPBGVPA-UHFFFAOYSA-N

Compound name

6-boronohexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 160.09068 Da
Monoisotopic Mass: None
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]+	161.09796	134.7
[M+Na]+	183.07990	140.0
[M-H]-	159.08340	130.6
[M+NH4]+	178.12450	153.3
[M+K]+	199.05384	139.1
[M+H-H2O]+	143.08794	130.2
[M+HCOO]-	205.08888	152.9
[M+CH3COO]-	219.10453	170.6
[M+Na-2H]-	181.06535	137.2
[M]+	160.09013	134.3
[M]-	160.09123	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe