CID 3862902

89490-05-1

Structural Information

Molecular Formula

C₆H₁₁BO₂

SMILES

B(C1=CCCCC1)(O)O

InChI

InChI=1S/C6H11BO2/c8-7(9)6-4-2-1-3-5-6/h4,8-9H,1-3,5H2

InChIKey

XZWQKJXJNKYMAP-UHFFFAOYSA-N

Compound name

cyclohexen-1-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1926
Patents: 126.08521 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]+	127.09249	124.8
[M+Na]+	149.07443	135.1
[M+NH4]+	144.11903	133.4
[M+K]+	165.04837	130.3
[M-H]-	125.07793	125.7
[M+Na-2H]-	147.05988	129.9
[M]+	126.08466	126.3
[M]-	126.08576	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe