CID 20479

N-butylboronic acid

Structural Information

Molecular Formula

C₄H₁₁BO₂

SMILES

B(CCCC)(O)O

InChI

InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3

InChIKey

QPKFVRWIISEVCW-UHFFFAOYSA-N

Compound name

butylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 26
References: 4395
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	119.5
[M+Na]+	125.07443	128.9
[M+NH4]+	120.11903	127.1
[M+K]+	141.04837	124.8
[M-H]-	101.07793	117.9
[M+Na-2H]-	123.05988	122.5
[M]+	102.08466	120.1
[M]-	102.08576	120.1

Literature stripe

literature stripe

Patent stripe

patents stripe