CID 16217755

870777-16-5

Structural Information

Molecular Formula

C₅H₁₁BO₂

SMILES

B(C(=C(C)C)C)(O)O

InChI

InChI=1S/C5H11BO2/c1-4(2)5(3)6(7)8/h7-8H,1-3H3

InChIKey

ONHWZTRGTFWBIX-UHFFFAOYSA-N

Compound name

3-methylbut-2-en-2-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 114.08521 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]+	115.09249	124.0
[M+Na]+	137.07443	130.2
[M-H]-	113.07793	121.8
[M+NH4]+	132.11903	145.4
[M+K]+	153.04837	130.0
[M+H-H2O]+	97.082470	120.3
[M+HCOO]-	159.08341	142.6
[M+CH3COO]-	173.09906	166.2
[M+Na-2H]-	135.05988	126.4
[M]+	114.08466	121.6
[M]-	114.08576	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe