CID 199578

Cyclohexylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula

C₆H₁₃BO₂

SMILES

B(C1CCCCC1)(O)O

InChI

InChI=1S/C6H13BO2/c8-7(9)6-4-2-1-3-5-6/h6,8-9H,1-5H2

InChIKey

XDRVAZAFNWDVOE-UHFFFAOYSA-N

Compound name

cyclohexylboronic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1682
Patents: 128.10086 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]+	129.10814	126.9
[M+Na]+	151.09008	130.9
[M-H]-	127.09358	126.9
[M+NH4]+	146.13468	147.2
[M+K]+	167.06402	130.0
[M+H-H2O]+	111.09812	122.1
[M+HCOO]-	173.09906	144.2
[M+CH3COO]-	187.11471	165.4
[M+Na-2H]-	149.07553	131.1
[M]+	128.10031	120.2
[M]-	128.10141	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe