CID 10964611

(cyclohexylmethyl)boronic acid

Structural Information

Molecular Formula

C₇H₁₅BO₂

SMILES

B(CC1CCCCC1)(O)O

InChI

InChI=1S/C7H15BO2/c9-8(10)6-7-4-2-1-3-5-7/h7,9-10H,1-6H2

InChIKey

STYXWXRMARWJRD-UHFFFAOYSA-N

Compound name

cyclohexylmethylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 142.11652 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]+	143.12380	131.5
[M+Na]+	165.10574	135.1
[M-H]-	141.10924	131.3
[M+NH4]+	160.15034	151.2
[M+K]+	181.07968	133.9
[M+H-H2O]+	125.11378	126.5
[M+HCOO]-	187.11472	148.5
[M+CH3COO]-	201.13037	168.4
[M+Na-2H]-	163.09119	135.1
[M]+	142.11597	125.1
[M]-	142.11707	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe