CID 3862902

1-cyclohexenylboronic acid

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: 2157
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	129.9
[M-H]-	125.07793	125.2
[M+NH4]+	144.11903	145.3
[M+K]+	165.04837	128.7
[M+H-H2O]+	109.08247	120.0
[M+HCOO]-	171.08341	143.6
[M+CH3COO]-	185.09906	165.0
[M+Na-2H]-	147.05988	130.0
[M]+	126.08466	119.5
[M]-	126.08576	119.5

Literature stripe

literature stripe

Patent stripe

patents stripe