CID 351064

Hexylboronic acid

Structural Information

Molecular Formula

C₆H₁₅BO₂

SMILES

B(CCCCCC)(O)O

InChI

InChI=1S/C6H15BO2/c1-2-3-4-5-6-7(8)9/h8-9H,2-6H2,1H3

InChIKey

CXSYDLCMCLCOCA-UHFFFAOYSA-N

Compound name

hexylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 878
Patents: 130.11652 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]+	131.12380	128.4
[M+Na]+	153.10574	137.4
[M+NH4]+	148.15034	135.7
[M+K]+	169.07968	132.8
[M-H]-	129.10924	126.7
[M+Na-2H]-	151.09119	130.9
[M]+	130.11597	128.9
[M]-	130.11707	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe