CID 2734395

Isobutylboronic acid

Structural Information

Molecular Formula

C₄H₁₁BO₂

SMILES

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

InChI

InChI=1S/C4H11BO2/c1-4(2)3-5(6)7/h4,6-7H,3H2,1-2H3

InChIKey

ZAZPDOYUCVFPOI-UHFFFAOYSA-N

Compound name

2-methylpropylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3773
Patents: 102.08521 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]+	103.09249	120.0
[M+Na]+	125.07443	129.0
[M+NH4]+	120.11903	127.4
[M+K]+	141.04837	125.7
[M-H]-	101.07793	118.1
[M+Na-2H]-	123.05988	122.6
[M]+	102.08466	120.4
[M]-	102.08576	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe