CID 11137192

140614-19-3

Structural Information

Molecular Formula

C₆H₁₅BO₂

SMILES

B(CC(CC)CC)(O)O

InChI

InChI=1S/C6H15BO2/c1-3-6(4-2)5-7(8)9/h6,8-9H,3-5H2,1-2H3

InChIKey

TYRRNCPGNQLJQH-UHFFFAOYSA-N

Compound name

2-ethylbutylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	128.8
[M+Na]+	153.10574	137.5
[M+NH4]+	148.15034	136.0
[M+K]+	169.07968	133.7
[M-H]-	129.10924	126.9
[M+Na-2H]-	151.09119	130.9
[M]+	130.11597	129.2
[M]-	130.11707	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.