CID 351064

B-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: 922
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	129.8
[M+Na]+	153.10574	135.6
[M-H]-	129.10924	127.1
[M+NH4]+	148.15034	150.6
[M+K]+	169.07968	134.7
[M+H-H2O]+	113.11378	125.5
[M+HCOO]-	175.11472	149.8
[M+CH3COO]-	189.13037	169.0
[M+Na-2H]-	151.09119	134.1
[M]+	130.11597	129.8
[M]-	130.11707	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe